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RESOLVE output

The output from RESOLVE follows. The data are for the molecular replacement example using initiation factor 5A shown in the example section of the manual. You can run this data through yourself using the data and command files in the SOLVE/RESOLVE library installation directory, usually located in the directory referred to by $SOLVEDIR/examples_resolve/

------------------------ COPYRIGHT NOTICE ---------------------------------

Los Alamos National Laboratory

This program was prepared by the Regents of the University of California at Los Alamos National Laboratory (the University) under Contract No. W-7405-ENG-36 with the U.S. Department of Energy (DOE). The University has certain rights in the program pursuant to the contract and the program should not be copied or distributed outside your organization. All rights in the program are reserved by the DOE and the University. Neither the U.S. Government nor the University makes any warranty, express or implied, or assumes any liability or responsibility for the use of this software.

********************************************************

--- Resolve---

Reciprocal-space solvent flattening and

Maximum-likelihood density modification

Type "resolvehelp" for on-line help

or see "http://resolve.lanl.gov"

*******************************************************

(version 2.00 of 22-Mar-2001)

Tom Terwilliger, Los Alamos National Laboratory, "terwilliger@LANL.gov"


>hklin sigmaa_2EIF.mtz                                                          

 Data to be read from mtz file: 

 sigmaa_2EIF.mtz                                                                

  

 

>labin FP=FP FC=FC PHIC=PHIC FOM=WCMB                                           

 Current value of "LABIN" is: 

 labin FP=FP FC=FC PHIC=PHIC FOM=WCMB                                           

                                                      

 

>mask_cycles 10                                                                 

 Number of mask/image cycles:           10

 

>minor_cycles 10                                                                

 Number of minor cycles per mask/image   cycle:           10

 

>solvent_content 0.60        !    solvent fraction                              

 Fraction of unit cell assumed to be solvent is:   0.6000000    

 

>prime_and_switch                                                               

 Prime-and-switch phasing will be used (requires FC PHIC FP to be input).

 

>hklout resolve_ps.mtz                                                          

 Data to be written to mtz file: 

 resolve_ps.mtz                                                                 

  

 

 All done with inputs



       The date today is 12-apr-01.  Your license is good until 15-jul-07.



 User:   terwill              Logical Name: sigmaa_2EIF.mtz

 Status: READONLY   Filename: sigmaa_2EIF.mtz

 HEADER INFORMATION FROM INPUT MTZ FILE ON INDEX  1

 

 * Title:

 

 ...

 

 * Number of Columns =  11

 

 * Number of Reflections =  12490

 

 * Missing value set to NaN in input mtz  file

 

 * Column Labels :

 

 H K L FC PHIC FOMM FP SIGFP DELFWT FWT WCMB

 

 * Column Types :

 

 H H H F P W F Q F F W

 

 * Cell Dimensions :

 

   113.95  113.95   32.47   90.00   90.00   90.00

 

 *  Resolution Range :

 

      0.00262     0.22672      (   19.537 -     2.100 A )

 

 * Sort Order :

 

      1     2     3     0     0

 

 * Space group = I4  (number    79)

 

 * Input Program Labels :

 

 H K L FP PHIB FOM HLA HLB HLC HLD FC PHIC SIGFP FWT

 

 * Input File Labels :

 

 H K L FC PHIC FOMM FP SIGFP DELFWT FWT WCMB

 

 * Lookup Table : the number indicates the input column no.

 * Array element n corresponds to the nth program label

 

     0    0    0    7    0   11    0    0    0    0    4    5    0    0

 

 FP taken from column           7

 FOM taken from column          11

 Reading in FC and PHIC from columns            4           5

 FOM will be applied to PHIC

 Total of        12490 reflections read from file

 Mean FOM of input data =   0.2678500    

 Adding F000 term (0.0) to this list

 Closed mtz file

 Space group is          79



 FORMATTED      OLD     file opened on unit  11

 Logical name: SYMOP, Full name: /usr/local/lib/solve/symop.lib



   Centric Zone   1 Reflections of Type  hk0

 

 Cycles of mask generation:          10

 Sub-cycles per mask cycle:          10

 

 

 Warning -- Total of            1 centric phases off by >   0.5000000    

  degrees

 

 Expected I corrected for centering by factor of            2

 Results of wilson scaling:

 Scale on I = 1.89    

 B-value = 9.66    



 

 Setting up small boxes for cross-validation

Subdivisions along X Y Z:    6   3   1 for total of   18 boxes.



 Results of wilson scaling of model Fc to Fo :

 Scale on I to apply to Fc = 3.02    

 B-value to apply to Fc= .128E-01





 Estimates of overall B and scale for fitting Model map to Observed intensities

 Overall B =     25.6 Corresponding to rmsd of about      0.6 A.

 Overall scale, corresponding to fraction of atoms modelled  with this error =   0.28



        CC of Observed, Model Intensities vs resolution

        (CALC is fit to the observed CC with a pseudo-B)

              ACENTRIC                      CENTRIC

          N        CC     CALC         N       CC     CALC         DMIN

          20      0.42    0.27        13     -0.36    0.27        14.00

          53      0.35    0.27        23      0.20    0.27        10.11

         111      0.33    0.26        37      0.16    0.26         7.78

         196      0.10    0.25        44      0.13    0.25         6.22

         211      0.30    0.23        41      0.41    0.23         5.44

         365      0.39    0.22        67      0.01    0.22         4.67

         457      0.39    0.20        63      0.27    0.20         4.12

         511      0.24    0.19        66      0.25    0.19         3.73

         606      0.10    0.17        71      0.29    0.17         3.42

         621      0.13    0.16        64      0.22    0.16         3.19

         817      0.13    0.14        82      0.23    0.14         2.96

         738      0.10    0.13        64      0.14    0.13         2.80

         893      0.06    0.12        83      0.17    0.12         2.64

        1123      0.03    0.11        92     -0.02    0.11         2.49

        1484      0.06    0.09       114     -0.07    0.09         2.33

        1395      0.09    0.08        99      0.07    0.08         2.22

        1751      0.09    0.07       115      0.15    0.07         2.10

 Scaling model reflections with overall scale and B

 

 Resolution cutoff recommended based on CC  of FP and FC is:    2.100175    

 



 Overall R-factor for FC vs FP:  0.45 for      12491 reflections



 Reset-resolution with adjusted_resolution of   2.10 and NREFL =    12491



 Total of       0 reflections <  2.10 tossed, leaving a total of   12491

 

 Getting starting map  using current phases

 

 

                         Mask cycle            1

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius = 11.57



 Mean +/- SD of density in protein region :   0.00 +/-   0.30

 Mean +/- SD of density in solvent region :   0.00 +/-   0.13







 -------------------------------------------------------------------------------



 Plot of probability that a grid point is part of protein region

 vs percentiles of grid points



 All points to the left of the "+" signs are in solvent masked region

 those to right are in protein masked region.



 The values of p(protein) should change from low to high approximately at the value

 of the fraction of solvent indicated by the "+" signs.

 The sharper the transition the better.



 Note: the mask is only used to make an estimate of the p(protein)



 The values of p(protein) are used to weight the contribution of each grid

  point to the likelihood of the map:



  p(rho) = p(rho|protein) p(protein) +  p(rho|solvent) (1-p(protein))



 This says that the probability that we would observe  the value "rho"  of electron

 density at this point is the probability that we would observe "rho" if this were

 really protein times the probability that this is  protein, plus the probability

 that we would observe "rho" if it were really solvent, times the probability that

 it is solvent.



                               Probability that grid points are in protein region





                         1.0  ...........................................xxxxxxx 

                              .                             +         xxx      . 

                              .                             +       xx         . 

                              .                             +     xx           . 

                              .                             +   xx             . 

                              .                             + xx               . 

                              .                             +x                 . 

                p(protein)    .                            xx                  . 

                         0.5  .                           x +                  . 

                              .                          x  +                  . 

                              .                         x   +                  . 

                              .                        x    +                  . 

                              .                      xx     +                  . 

                              .                     x       +                  . 

                              .                  xxx        +                  . 

                         0.0  .xxxxxxxxxxxxxxxxxx...........+................... 



                              0       20        40        60        80       100



                                            Percentile of grid points

 -------------------------------------------------------------------------------







 Range of P(protein)  and percentiles 

 used for histograms of protein and solvent:



               P(protein)                  Percentile

              Low      High              Low      High

 Protein:    0.85      1.00              80.      100.

 Solvent:    0.00      0.12               0.       44.





 Minor cycle    1







 Plot of Observed (o) and model (x) electron density distributions for protein region

 where the model distribution is given by,  p_model(beta*(rho+offset)) = p_ideal(rho)

 and then convoluted with a gaussian with width of sigma

 where sigma, offset and beta are given below under "Error estimate."





                          0.05.................................................. 

                              .                   .                            . 

                              .                   .                            . 

                              .                xxoo                            . 

                              .               xooxo                            . 

                              .              xo   xo                           . 

                              .             xx    .xo                          . 

                p(rho)        .             x     . xo                         . 

                              .            xo     .  x                         . 

                              .            x      .  xx                        . 

                              .          ox       .    xx                      . 

                              .          x        .     xxx                    . 

                              .         ox        .      ooxxxx                . 

                              .        ox         .        oooxxxx             . 

                              .      oxx          .             ooxxxxooo      . 

                         0.0  xxxxxxxx................................xxxxxxxxxx 



                             -2        -1         0         1         2        3



                                  normalized rho (0 = mean of solvent region)

 -------------------------------------------------------------------------------









 Plot of Observed (o) and model (x) 

 electron density distributions for solvent region





                          0.09.................................................. 

                              .                   .                            . 

                              .                   .                            . 

                              .                  oxo                           . 

                              .                  x.xx                          . 

                              .                  x. x                          . 

                              .                 x . o                          . 

                p(rho)        .                 x .  x                         . 

                              .                x  .  x                         . 

                              .                x  .  x                         . 

                              .               oo  .  ox                        . 

                              .               x   .   ox                       . 

                              .              xx   .    x                       . 

                              .              x    .    ox                      . 

                              .            xx     .     xx                     . 

                         0.0  xxxxxxxxxxxxxx..............xxxxxxxxxxxxxxxxxxxxxx 



                             -2        -1         0         1         2        3



                                  normalized rho (0 = mean of solvent region)

 -------------------------------------------------------------------------------





 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.31 and    0.13 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    0.63, offset is   -0.09   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.27       0.27       0.27

      12490       1138      11352



 

Input phase probabilities weighted by factor of   0.00

 



 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.24         0.27

      11350         1136







 New figure of merit (>m<

 ) of phasing based on: 

      (1) experimental phase information, and 

      (2) likelihood of the resulting map



 These are the 2 sources of phase information used in resolve.  The phase

 information from them should be correlated and the phase information from

 the map should increase during maximum- likelihood density modification.



 Correlation between prior and map phase information is measured by

 <cos(delta-phi)>, the mean cosine of the phase difference.



 Best estimate of true figure of merit of map-likelihood phasing is 

 ratio of correlation to 

 >m< of prior information



 Fraction of phase information from prior is estimated from >m< of prior, map











                  Acentric reflections only:



        --Figure of merit--      CC      Fraction    >m< Total

 DMIN   Prior   Map   Total   Prior-Map from Prior  (corrected)      N



 ALL:    0.33   0.40   0.40     0.72       0.00        0.40      11352



  6.0    0.45   0.73   0.73     0.76       0.00        0.73        431

  3.8    0.50   0.80   0.80     0.82       0.00        0.80       1473

  3.0    0.36   0.62   0.62     0.75       0.00        0.62       1892

  2.6    0.30   0.36   0.36     0.72       0.00        0.36       1932

  2.3    0.26   0.22   0.22     0.69       0.00        0.22       3459

  2.1    0.31   0.17   0.17     0.65       0.00        0.17       2165



 WGT:    0.00   1.00









                  Centric reflections only:



        --Figure of merit--      CC      Fraction    >m< Total

 DMIN   Prior   Map   Total   Prior-Map from Prior  (corrected)      N



 ALL:    0.27   0.46   0.46     0.56       0.00        0.46       1138



  6.0    0.34   0.65   0.65     0.68       0.00        0.65        130

  3.8    0.38   0.67   0.67     0.54       0.00        0.67        222

  3.0    0.28   0.59   0.59     0.55       0.00        0.59        197

  2.6    0.24   0.40   0.40     0.56       0.00        0.40        179

  2.3    0.16   0.26   0.26     0.52       0.00        0.26        262

  2.1    0.27   0.25   0.25     0.57       0.00        0.25        148



 WGT:    0.00   1.00









                  All reflections:



        --Figure of merit--      CC      Fraction    >m< 

        Total

 DMIN   Prior   Map   Total   Prior-Map from Prior  (corrected)      N



 ALL:    0.33   0.40   0.40     0.70       0.00        0.40      12490



  6.0    0.42   0.71   0.71     0.74       0.00        0.71        561

  3.8    0.49   0.78   0.78     0.78       0.00        0.78       1695

  3.0    0.35   0.62   0.62     0.73       0.00        0.62       2089

  2.6    0.29   0.36   0.36     0.70       0.00        0.36       2111

  2.3    0.25   0.23   0.23     0.68       0.00        0.23       3721

  2.1    0.31   0.17   0.17     0.65       0.00        0.17       2313



 WGT:    0.00   1.00









 **********************************************************************

 *                                                                    *

 *     CORRECTED OVERALL FIGURE OF MERIT OF PHASING:   0.40           *

 *     BIAS RATIO:  5.39                                              *

 *                                                                    *

 *     Bias ratio is given by <cos(phiA-phiB)>/(FOMA*FOMB),           *

 *     where phiA and FOMA are phase and 

 >m< from prior (model or     *

 *     experiment) and phiB and FOMB are from map.                    *

 *     Bias ratio is about 1 if phiA and phiB are independent,        *

 *                        >1 if phiB is biased by phiA,               *

 *                        <1 if FOMA or FOMB are overestimated        *

 *                                                                    *

 *     If BIAS RATIO <1, CORRECTED FOM = ESTIMATED FOM * BIAS RATIO   *

 **********************************************************************

 

 

 Cumulative phase change from start to end of this cycle [<cos(phiA-phiB)>]



 DMIN  -----acentric--------  --------centric-------  ---------all---------

        <cos>  <wgt*cos<  N    <cos>  <wgt*cos<  N    <cos>  <wgt*cos<  N 

  0.0    0.72    0.82  11352.   0.56    0.74   1138.   0.70    0.81  12490.

  6.0    0.76    0.81    431.   0.67    0.78    130.   0.74    0.80    561.

  3.8    0.82    0.85   1473.   0.54    0.71    222.   0.78    0.84   1695.

  3.0    0.75    0.81   1892.   0.55    0.71    197.   0.73    0.80   2089.

  2.6    0.72    0.81   1932.   0.56    0.73    179.   0.70    0.80   2111.

  2.3    0.69    0.81   3459.   0.52    0.75    262.   0.68    0.80   3721.

  2.1    0.65    0.79   2165.   0.57    0.83    148.   0.65    0.79   2313.





                         End of first cycle

 ____________________________________________________________







 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.10 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.44 and    0.13 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.00, offset is   -0.07   and sigma is a 

 random variable with rms value of    0.10





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.40       0.46       0.40

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.17         0.17

      11351         1137





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.48 and    0.13 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.05, offset is   -0.08   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.45       0.52       0.45

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.12         0.11

      11351         1137





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.48 and    0.13 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.05, offset is   -0.09   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.45       0.52       0.45

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.10         0.08

      11351         1137





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.49 and    0.12 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.06, offset is   -0.10   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.46       0.53       0.45

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.08         0.07

      11351         1137





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.49 and    0.12 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.06, offset is   -0.10   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.46       0.53       0.46

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.07         0.07

      11351         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.49 and    0.12 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.06, offset is   -0.11   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.47       0.54       0.46

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.06         0.06

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.49 and    0.12 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.06, offset is   -0.11   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.47       0.54       0.46

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.06         0.06

      11351         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.50 and    0.11 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.06, offset is   -0.11   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.47       0.54       0.46

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.05         0.05

      11351         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.11 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.50 and    0.11 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.06, offset is   -0.11   and sigma is a 

 random variable with rms value of    0.11





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.47       0.54       0.46

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.04         0.05

      11351         1136



 

                         Mask cycle            2

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.47



 Mean +/- SD of density in protein region :   0.01 +/-   0.50

 Mean +/- SD of density in solvent region :   0.00 +/-   0.10





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.50 and    0.10 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.07, offset is   -0.12   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.47       0.55       0.46

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.05         0.05

      11351         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.50 and    0.10 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.07, offset is   -0.15   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.55       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.04         0.04

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.50 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.07, offset is   -0.16   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.03         0.03

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.07, offset is   -0.17   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.55       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.03         0.03

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.07, offset is   -0.17   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.03         0.03

      11351         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.07, offset is   -0.18   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.03

      11351         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.18   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.03

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.18   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.02

      11351         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.19   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.02

      11351         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.09 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.18   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.02

      11351         1136



 

                         Mask cycle            3

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.37



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.08





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.20   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.02

      11351         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.20   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.02

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.20   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.02         0.02

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.20   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.20   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.20   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136



 

                         Mask cycle            4

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.35



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.08





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1135





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.02

      11351         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.08 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.21   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.56       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136



 

                         Mask cycle            5

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.34



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.07





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11350         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136



 

                         Mask cycle            6

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.33



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.07





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11350         1135





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11350         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11350         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11350         1136



 

                         Mask cycle            7

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.32



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.07





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.01         0.01

      11351         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.08, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.01

      11351         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11351         1136



 

                         Mask cycle            8

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.32



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.07





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11351         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11351         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11351         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11351         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136



 

                         Mask cycle            9

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.32



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.07





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle   10



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.22   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136



 

                         Mask cycle           10

 

 big_cycle 

 get_mask_wang

 New Wang averaging radius =  6.31



 Mean +/- SD of density in protein region :   0.00 +/-   0.51

 Mean +/- SD of density in solvent region :   0.00 +/-   0.07







 -------------------------------------------------------------------------------



 Plot of probability that a grid point is part of protein region

 vs percentiles of grid points



 All points to the left of the "+" signs are in solvent masked region

 those to right are in protein masked region.



 The values of p(protein) should change from low to high approximately at the value

 of the fraction of solvent indicated by the "+" signs.

 The sharper the transition the better.



 Note: the mask is only used to make an estimate of the p(protein)



 The values of p(protein) are used to weight the contribution of each grid

  point to the likelihood of the map:



  p(rho) = p(rho|protein) p(protein) +  p(rho|solvent) (1-p(protein))



 This says that the probability that we would observe  the value "rho"  of electron

 density at this point is the probability that we would observe "rho" if this were

 really protein times the probability that this is  protein, plus the probability

 that we would observe "rho" if it were really solvent, times the probability that

 it is solvent.



                               Probability that grid points are in protein region





                         1.0  ....................................xxxxxxxxxxxxxx 

                              .                             +    x             . 

                              .                             +   x              . 

                              .                             +  x               . 

                              .                             + x                . 

                              .                             +                  . 

                              .                             +x                 . 

                p(protein)    .                             +                  . 

                         0.5  .                             x                  . 

                              .                            x+                  . 

                              .                             +                  . 

                              .                           x +                  . 

                              .                          x  +                  . 

                              .                         x   +                  . 

                              .                       xx    +                  . 

                         0.0  .xxxxxxxxxxxxxxxxxxxxxxx......+................... 



                              0       20        40        60        80       100



                                            Percentile of grid points

 -------------------------------------------------------------------------------







 Range of P(protein)  and percentiles 

 used for histograms of protein and solvent:



               P(protein)                  Percentile

              Low      High              Low      High

 Protein:    0.89      1.00              70.      100.

 Solvent:    0.00      0.13               0.       52.





 Minor cycle    1



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    2



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    3



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    4



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    5



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11350         1136





 Minor cycle    6



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11349         1136





 Minor cycle    7



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11349         1136





 Minor cycle    8



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11349         1136





 Minor cycle    9



 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352





 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11349         1136





 Minor cycle   10







 ____________________________________________________________



                         Final cycle









 Plot of Observed (o) and model (x) electron density distributions for protein region

 where the model distribution is given by,  p_model(beta*(rho+offset)) = p_ideal(rho)

 and then convoluted with a gaussian with width of sigma

 where sigma, offset and beta are given below under "Error estimate."





                          0.03.................................................. 

                              .                   .                            . 

                              .                   .                            . 

                              .          xxxxxxoo .                            . 

                              .         ox oooox oo                            . 

                              .        ox    o  xx.                            . 

                              .       ox         xxoo                          . 

                p(rho)        .       x           xxo                          . 

                              .      xx           . xo                         . 

                              .    o x            .  xx                        . 

                              .    xx             .   oxxx                     . 

                              .    x              .    oooxxxxxx               . 

                              .   xo              .      ooooooxxxxxxx         . 

                              . xx                .               ooooxxxxxxo  . 

                              xxo                 .                        xxxxo 

                         0.0  o................................................x 



                             -2        -1         0         1         2        3



                                  normalized rho (0 = mean of solvent region)

 -------------------------------------------------------------------------------









 Plot of Observed (o) and model (x) 

 electron density distributions for solvent region





                          0.18.................................................. 

                              .                   .                            . 

                              .                   .                            . 

                              .                   oo                           . 

                              .                   .                            . 

                              .                   .                            . 

                              .                  o.o                           . 

                p(rho)        .                   .                            . 

                              .                  o. o                          . 

                              .                   .                            . 

                              .                  xxxo                          . 

                              .                 x . xx                         . 

                              .                x  .  xx                        . 

                              .              xx o .    x                       . 

                              .            xxx o  .  o  xx                     . 

                         0.0  xxxxxxxxxxxxxoooo.......ooooxxxxxxxxxxxxxxxxxxxxxx 



                             -2        -1         0         1         2        3



                                  normalized rho (0 = mean of solvent region)

 -------------------------------------------------------------------------------





 



      Error estimate for map on this cycle



 The estimated error in this map is    0.12 based on an analysis of the electron

 density distributions in the protein and solvent regions with rms

 values of    0.51 and    0.07 respectively.

 The value of the scale factor beta relating idealized density distributions

 P_ideal(rho) to observed ones is:



      obs_rho = beta * (ideal_rho + offset) + sigma



 where beta =    1.09, offset is   -0.23   and sigma is a 

 random variable with rms value of    0.12





 Mean starting figure of merit this cycle 

    Overall    Centric    Acentric 

       0.48       0.57       0.47

      12490       1138      11352



 

Input phase probabilities weighted by factor of   0.00

 



 Mean normalized structure factor changes this cycle 

    Acentric       Centric

       0.00         0.00

      11349         1136







 New figure of merit (>m<) of phasing based on: 

      (1) experimental phase information, and 

      (2) likelihood of the resulting map



 These are the 2 sources of phase information used in resolve.  The phase

 information from them should be correlated and the phase information from

 the map should increase during maximum- likelihood density modification.



 Correlation between prior and map phase information is measured by

 <cos(delta-phi)>, the mean cosine of the phase difference.



 Best estimate of true figure of merit of map-likelihood phasing is 

 ratio of correlation to >m< of prior information



 Fraction of phase information from prior is estimated from >m< of prior, map











                  Acentric reflections only:



        --Figure of merit--      CC      Fraction    >m< Total

 DMIN   Prior   Map   Total   Prior-Map from Prior  (corrected)      N



 ALL:    0.34   0.47   0.47     0.23       0.00        0.47      11352



  6.0    0.45   0.79   0.79     0.46       0.00        0.79        431

  3.8    0.51   0.83   0.83     0.42       0.00        0.82       1473

  3.0    0.37   0.74   0.74     0.27       0.00        0.74       1892

  2.6    0.30   0.49   0.49     0.21       0.00        0.49       1932

  2.3    0.27   0.31   0.31     0.16       0.00        0.31       3459

  2.1    0.32   0.19   0.19     0.13       0.00        0.19       2165



 WGT:    0.00   1.00









                  Centric reflections only:



        --Figure of merit--      CC      Fraction    >m< Total

 DMIN   Prior   Map   Total   Prior-Map from Prior  (corrected)      N



 ALL:    0.27   0.57   0.57     0.24       0.00        0.57       1138



  6.0    0.34   0.68   0.68     0.38       0.00        0.68        130

  3.8    0.38   0.73   0.73     0.27       0.00        0.70        222

  3.0    0.28   0.69   0.69     0.30       0.00        0.69        197

  2.6    0.24   0.56   0.56     0.16       0.00        0.56        179

  2.3    0.16   0.42   0.42     0.22       0.00        0.42        262

  2.1    0.27   0.34   0.34     0.15       0.00        0.34        148



 WGT:    0.00   1.00









                  All reflections:



        --Figure of merit--      CC      Fraction    >m< Total

 DMIN   Prior   Map   Total   Prior-Map from Prior  (corrected)      N



 ALL:    0.33   0.48   0.48     0.23       0.00        0.48      12490



  6.0    0.42   0.76   0.76     0.44       0.00        0.76        561

  3.8    0.49   0.81   0.81     0.40       0.00        0.81       1695

  3.0    0.36   0.73   0.73     0.27       0.00        0.73       2089

  2.6    0.30   0.50   0.50     0.20       0.00        0.50       2111

  2.3    0.26   0.32   0.32     0.16       0.00        0.32       3721

  2.1    0.31   0.20   0.20     0.13       0.00        0.20       2313



 WGT:    0.00   1.00









 **********************************************************************

 *                                                                    *

 *     CORRECTED OVERALL FIGURE OF MERIT OF PHASING:   0.48           *

 *     BIAS RATIO:  1.42                                              *

 *                                                                    *

 *     Bias ratio is given by <cos(phiA-phiB)>/(FOMA*FOMB),           *

 *     where phiA and FOMA are phase and >m< from prior (model or     *

 *     experiment) and phiB and FOMB are from map.                    *

 *     Bias ratio is about 1 if phiA and phiB are independent,        *

 *                        >1 if phiB is biased by phiA,               *

 *                        <1 if FOMA or FOMB are overestimated        *

 *                                                                    *

 *     If BIAS RATIO <1, CORRECTED FOM = ESTIMATED FOM * BIAS RATIO   *

 **********************************************************************

 

 

 Cumulative phase change from start to end of this cycle [<cos(delta-phi)>]



 DMIN  -----acentric--------  --------centric-------  ---------all---------

        <cos>  <wgt*cos<  N    <cos>  <wgt*cos<  N    <cos>  <wgt*cos<  N 

  0.0    0.25    0.36  11352.   0.25    0.40   1138.   0.25    0.36  12490.

  6.0    0.47    0.50    431.   0.39    0.48    130.   0.45    0.50    561.

  3.8    0.43    0.48   1473.   0.27    0.39    222.   0.41    0.47   1695.

  3.0    0.29    0.34   1892.   0.30    0.43    197.   0.29    0.35   2089.

  2.6    0.23    0.32   1932.   0.16    0.36    179.   0.22    0.32   2111.

  2.3    0.18    0.29   3459.   0.22    0.34    262.   0.18    0.29   3721.

  2.1    0.15    0.23   2165.   0.15    0.43    148.   0.15    0.25   2313.

 

              All done .. writing out new phases

 

  (Q)QOPEN allocated #  1

 User:   terwill              Logical Name: resolve_ps.mtz

 Status: UNKNOWN    Filename: resolve_ps.mtz

 HEADER INFORMATION FOR OUTPUT MTZ FILE ON INDEX  3

 

 * Title:

 

 

 

 * Number of Columns =  10

 

 * Number of Reflections =  12490

 

 * Missing value set to NaN in output mtz  file

 

 * Column Labels :

 

 H K L FP PHIM FOMM HLAM HLBM HLCM HLDM

 

 * Column Types :

 

 H H H F P W A A A A

 

 * Cell Dimensions :

 

   113.95  113.95   32.47   90.00   90.00   90.00

 

 *  Resolution Range :

 

      0.00262     0.22672      (   19.542 -     2.100 A )

 

 * There is no sort order recorded in the MTZ header

 

 * Space group = I4  (number    79)

 





 **********************************************************************

 *                                                                    *

 *     NOTE:  HIGH RESOLUTION LIMIT ADJUSTED TO   2.10 A              *

 *   (Use the keyword resolution to set a different value)            *

 *                                                                    *

**********************************************************************

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