       The date today is 29-dec-98.  Your license expires on 15-dec-07.

 ------------------------  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.

        *******************************************************
        *                  --- SOLVE ---                      *
        *                                                     *
        *    Automated structure solution for MAD and MIR     *
        *                                                     *
        *  Please see "www.solve.lanl.gov" for on-line help   *
        *******************************************************

               (version 1.12  of 29-Dec-1998 / Size =  6)
   Tom Terwilliger, Los Alamos National Laboratory, "terwilliger@LANL.gov"

 Rescaling standard dataset to put it on approximate absolute scale.  NRES = 
          80;  <F**2> expected =    78400.00    
 ;  <F**2> observed in lowest resolution shell =    343548.2    
   ... Scale factor =   0.2282067    

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

  *** Analysis of this scaled MAD data set *** 

  Fbar,sigma,Delano,sigma for            3 wavelengths written to:
 mad_fbar.scl                                                                   
  

  F+,sigma,F-,sigma for            3 wavelengths written to:
 mad_fpfm.scl                                                                   
  

  ** Completeness of Fbar data at each wavelength: ** 



 Completeness of dataset            1  ( F >    2.000000     * sigma)
 set 1 with 2 se atoms, lambda 1                                                
  
 Reflections observed:

                    Possible  Found     % complete
 shell     dmin

    1     6.000       239       234      97.9
    2     4.500       317       312      98.4
    3     4.200       120       119      99.2
    4     3.975       120       119      99.2
    5     3.750       155       154      99.4
    6     3.600       112       108      96.4
    7     3.450       143       139      97.2
    8     3.300       172       167      97.1
    9     3.150       190       187      98.4
   10     3.000       254       249      98.0

 total               1822      1788      98.1


 Completeness of dataset            2  ( F >    2.000000     * sigma)
 set 2                                                                          
  
 Reflections observed:

                    Possible  Found     % complete
 shell     dmin

    1     6.000       239       233      97.5
    2     4.500       317       308      97.2
    3     4.200       120       116      96.7
    4     3.975       120       118      98.3
    5     3.750       155       151      97.4
    6     3.600       112       111      99.1
    7     3.450       143       140      97.9
    8     3.300       172       168      97.7
    9     3.150       190       185      97.4
   10     3.000       254       249      98.0

 total               1822      1779      97.6


 Completeness of dataset            3  ( F >    2.000000     * sigma)
 set 3                                                                          
  
 Reflections observed:

                    Possible  Found     % complete
 shell     dmin

    1     6.000       239       235      98.3
    2     4.500       317       308      97.2
    3     4.200       120       117      97.5
    4     3.975       120       118      98.3
    5     3.750       155       153      98.7
    6     3.600       112       108      96.4
    7     3.450       143       137      95.8
    8     3.300       172       167      97.1
    9     3.150       190       186      97.9
   10     3.000       254       249      98.0

 total               1822      1778      97.6

  ** R-factors for F-bar data dispersive  differences **


 Dispersive differences lambda            2 - lambda            1


 Differences by shell:

  shell   dmin    nobs      Fbar      delta     R     scale   min    max

    1     6.000   225     181.911     9.805   0.054   1.001  0.977  1.024
    2     4.500   302     173.874    10.542   0.061   1.001  0.979  1.030
    3     4.200   113     164.724     8.672   0.053   1.002  0.985  1.025
    4     3.975   113     135.116     7.262   0.054   1.001  0.983  1.023
    5     3.750   148     129.690     7.691   0.059   1.001  0.983  1.021
    6     3.600   106     114.743     5.595   0.049   0.999  0.984  1.028
    7     3.450   135      92.258     4.980   0.054   1.001  0.983  1.025
    8     3.300   162      90.292     5.411   0.060   1.000  0.972  1.029
    9     3.150   183      88.055     5.038   0.057   1.000  0.981  1.020
   10     3.000   241      75.831     4.278   0.056   1.001  0.974  1.028

 Total:          1728     127.402     7.190   0.056   1.001


 Dispersive differences lambda            3 - lambda            1


 Differences by shell:

  shell   dmin    nobs      Fbar      delta     R     scale   min    max

    1     6.000   228     186.026    13.622   0.073   1.000  0.972  1.022
    2     4.500   303     173.238    12.589   0.073   1.001  0.974  1.027
    3     4.200   116     168.454    12.208   0.072   1.003  0.975  1.029
    4     3.975   117     136.648    11.335   0.083   1.002  0.978  1.022
    5     3.750   150     133.000     8.828   0.066   0.999  0.974  1.023
    6     3.600   103     110.908     8.679   0.078   1.000  0.974  1.022
    7     3.450   135      90.748     8.219   0.091   1.000  0.960  1.031
    8     3.300   162      89.739     7.140   0.080   0.999  0.973  1.033
    9     3.150   183      88.887     8.079   0.091   1.000  0.957  1.042
   10     3.000   243      77.485     6.593   0.085   1.000  0.974  1.034

 Total:          1740     128.558     9.901   0.077   1.000


 Dispersive differences lambda            3 - lambda            2


 Differences by shell:

  shell   dmin    nobs      Fbar      delta     R     scale   min    max

    1     6.000   228     184.955    11.929   0.064   1.001  0.973  1.026
    2     4.500   298     172.919    10.739   0.062   0.998  0.974  1.021
    3     4.200   112     163.149     9.649   0.059   1.000  0.980  1.021
    4     3.975   115     137.017     9.120   0.067   1.000  0.975  1.025
    5     3.750   147     128.687     8.398   0.065   1.000  0.976  1.024
    6     3.600   108     115.722     7.197   0.062   1.002  0.982  1.022
    7     3.450   134      91.578     6.557   0.072   1.000  0.975  1.027
    8     3.300   162      90.588     6.171   0.068   1.000  0.973  1.025
    9     3.150   181      87.298     6.264   0.072   1.001  0.975  1.028
   10     3.000   243      76.614     5.410   0.071   1.000  0.979  1.031

 Total:          1728     127.609     8.326   0.065   1.000


 anomalous differences lambda            1


 Differences by shell:

  shell   dmin    nobs      Fbar      delta     R     scale   min    max

    1     6.000   230     189.492    15.617   0.082   1.002  0.972  1.043
    2     4.500   308     176.888    15.985   0.090   1.003  0.967  1.034
    3     4.200   117     166.297    14.106   0.085   1.001  0.966  1.036
    4     3.975   116     136.343    10.871   0.080   1.001  0.971  1.027
    5     3.750   150     132.758    10.753   0.081   0.999  0.973  1.025
    6     3.600   106     114.603     8.010   0.070   1.001  0.964  1.028
    7     3.450   139      94.568     8.789   0.093   1.000  0.956  1.027
    8     3.300   164      91.133     8.276   0.091   1.000  0.964  1.036
    9     3.150   185      89.098     8.505   0.095   1.001  0.970  1.032
   10     3.000   243      76.932     6.225   0.081   1.002  0.968  1.036

 Total:          1758     130.072    11.123   0.086   1.001


 anomalous differences lambda            2


 Differences by shell:

  shell   dmin    nobs      Fbar      delta     R     scale   min    max

    1     6.000   224     180.464    16.349   0.091   1.004  0.965  1.043
    2     4.500   301     172.641    14.022   0.081   1.002  0.966  1.036
    3     4.200   112     158.749    12.041   0.076   0.999  0.967  1.024
    4     3.975   118     141.156    11.975   0.085   0.998  0.970  1.031
    5     3.750   150     129.895    12.264   0.094   0.999  0.970  1.033
    6     3.600   111     117.846    12.549   0.106   1.000  0.967  1.030
    7     3.450   138      95.655     9.921   0.104   1.000  0.967  1.029
    8     3.300   165      93.505     9.066   0.097   1.003  0.960  1.042
    9     3.150   183      88.847     8.207   0.092   1.002  0.960  1.039
   10     3.000   248      77.791     9.257   0.119   1.003  0.971  1.050

 Total:          1750     127.754    11.737   0.092   1.001


 anomalous differences lambda            3


 Differences by shell:

  shell   dmin    nobs      Fbar      delta     R     scale   min    max

    1     6.000   227     182.305    14.778   0.081   1.004  0.965  1.054
    2     4.500   303     174.119    14.301   0.082   1.001  0.970  1.039
    3     4.200   115     164.012    14.798   0.090   1.002  0.972  1.041
    4     3.975   114     135.185    11.953   0.088   0.999  0.970  1.033
    5     3.750   148     131.666    10.728   0.081   1.000  0.967  1.036
    6     3.600   108     114.699    10.610   0.093   1.001  0.969  1.031
    7     3.450   136      91.793     9.240   0.101   1.001  0.968  1.032
    8     3.300   167      93.093     8.827   0.095   1.002  0.974  1.043
    9     3.150   186      89.821     8.581   0.096   1.000  0.969  1.030
   10     3.000   246      78.061     7.561   0.097   1.001  0.958  1.031

 Total:          1750     128.130    11.242   0.088   1.001

 ANALYZE_MAD:  Run MADMRG and MADBST on MAD data to get ready for SOLVE


 Form factors at lambda =   0.9782
 f-prime = -10.00
 f"      =   3.00


 Form factors at lambda =   0.9779
 f-prime =  -7.50
 f"      =   5.00


 Form factors at lambda =   0.8856
 f-prime =  -2.00
 f"      =   3.50


 CC of anomalous differences at different wavelengths
 For wavlength            1 vs            2:
 RMS del ano for these two:   15.62201       16.20702    
 CC for these two wavelengths =  0.1784872    
 For wavlength            1 vs            3:
 RMS del ano for these two:   15.68729       15.61185    
 CC for these two wavelengths =  0.1135394    
 For wavlength            2 vs            3:
 RMS del ano for these two:   16.11193       15.56225    
 CC for these two wavelengths =  0.1815053    
 Final refined values of fprime and fdoubleprime

 Form factors at lambda =   0.9782
 f-prime =  -9.49
 f"      =   3.36


 Form factors at lambda =   0.9779
 f-prime =  -7.50
 f"      =   5.00


 Form factors at lambda =   0.8856
 f-prime =  -3.58
 f"      =   3.53

 Fa Patterson from MADBST to be written to:
 patterson.patt                                                                 
  

 Analysis of correlation of origin-removed Patterson maps
 List of maps:
 1  scratch_madbst.patt                                                             
 2  scratch_madmrg_iso.patt                                                         
 3  scratch_madmrg_ano.patt                                                         
 4  scratch_anomalous_l1.patt                                                       
 5  scratch_anomalous_l2.patt                                                       
 6  scratch_anomalous_l3.patt                                                       
 7  scratch_dispersive_l1_l2.patt                                                   
 8  scratch_dispersive_l1_l3.patt                                                   
 9  scratch_dispersive_l2_l3.patt                                                   
  1    1.00  0.12  0.30  0.04  0.20  0.08 -0.01  0.25  0.15
  2    0.12  1.00  0.07  0.15  0.11  0.04  0.38  0.50  0.31
  3    0.30  0.07  1.00  0.39  0.55  0.40  0.09  0.07  0.06
  4    0.04  0.15  0.39  1.00  0.11  0.12  0.16  0.17  0.13
  5    0.20  0.11  0.55  0.11  1.00  0.15  0.09  0.06  0.06
  6    0.08  0.04  0.40  0.12  0.15  1.00  0.13  0.05  0.12
  7   -0.01  0.38  0.09  0.16  0.09  0.13  1.00  0.49  0.19
  8    0.25  0.50  0.07  0.17  0.06  0.05  0.49  1.00  0.33
  9    0.15  0.31  0.06  0.13  0.06  0.12  0.19  0.33  1.00

 Script file suitable for running SOLVE written to:
 solve_mad.script

 Datafile for SOLVE with MADMRG-compressed dataset
  ("Fnat",sig,"Fder",sig,"Delano",sig,iso diffs, ano diffs,
  <Fhcos>, <Fhsin> from MADBST) is:
 solve.data                                                                     
  

  ****   SOLVE:  Solutions to MIR or SIR datasets  ******

 Derivatives considered:              3  (NSET)
 Cross-vectors tested in HASSP:      20  (ICRMAX, DEFAULT=20)
 HASSP solutions saved per deriv:    30  (NTOPHASSP, DEFAULT=30)
 Fourier peaks saved per map:        30  (NTOPFOUR, DEFAULT=10)
 Sites per derivative:                2  (NSOLSITE, DEFAULT=20)
 Derivative solutions per seed:       5  (NTOPDERIV, DEFAULT=5)
 Seeds per derivative tested:        10  (NSEEDTEST,DEFAULT=10)
 Sorted seeds to use                  5  (NSEEDSOLVE, DEFAULT=5)
 Number of final solutions saved:     5  (NTOPSOLVE, DEFAULT=5)


 Correlated phasing used (CORRELPHASE)
 Patterson map for derivative            2 will be read directly from:
 patterson.patt                                                                 
  
 For derivative            2 the heavy atom
  structure factor components parallel to and 
 perpendicular to the native structure factor will be read from columns
           9 and           10

 Datafile with           10 columns of data:
 Title:MADMRG output (cols 1 to  8) and  MADBST fh cos,sin theta (c
 Data: madmrg: MOCK FNAT                                           
 Data: madmrg: MOCK sig FNAT                                       
 Data: madmrg: MOCK FDER                                           
 Data: madmrg: MOCK sig FDER                                       
 Data: madmrg: MOCK DEL ANO                                        
 Data: madmrg: MOCK sig DEL ANO                                    
 Data: madmrg: Del iso for Patterson                               
 Data: madmrg: Sigma of del iso for Patterson                      
 Data: <Fa cos theta> = Fa component along Fo weighted by fom      
 Data: <Fa sin theta> = weighted Fa component perpendicular to Fo  

 Fnat,sigma taken from columns           1           2
 Fder,sig,Delano,sig deriv            2 from cols:            3           4
           5           6

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

 ANALYZE_SOLVE:  analysis of top           1 solutions 



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


 Solution           1

 *********************** Analysis of this solution *************

  ******    Analysis of non-randomness of native Fourier map ******

 A.  Maps with distinct solvent regions havea high standard deviation
 of local r.m.s. electron density.
 For this map the SD of this local r.m.s. is   0.2421159    


 B.  Maps with distinct solvent regions also have a high correlation
 of local r.m.s. electron density with 
 density at neighboring locations. Typical 
 values for poor maps in this
  structure solution are   3.5625271E-02 +/-   2.0424997E-02
 For this map the correlation of r.m.s. density
 in neighboring boxes is   8.4623896E-02
 The correlation coefficient is used here in scoring.


 ******  Analysis of derivative solutions with the difference Patterson ******
   and with cross-validation difference Fouriers


  -----------------------------------------------
       Derivative #           2



 List of sites analyzed for compatibility with difference Patterson

   PEAK         X         Y         Z     OPTIMIZED
                                             RELATIVE OCCUPANCY
      1     0.057     0.944     0.615      70.977
      2     0.734     0.236     0.167      61.382

 Evaluation of this test soln with    2 sites after optimizing 
 occupancy of each site

 Cross-vectors for sites  1 and  1 (excluding origin):
  #      U        V      W      HEIGHT   PRED HEIGHT      SYMM#
   1   -0.115   0.000  -1.229   8644.21     10075.3          2

 Cross-vectors for sites  2 and  1 (excluding origin):
  #      U        V      W      HEIGHT   PRED HEIGHT      SYMM#
   1    0.677  -0.708  -0.448   7149.08     4356.65          1
   2   -0.792  -0.708  -0.781   8481.74     4356.65          1

 Cross-vectors for sites  2 and  2 (excluding origin):
  #      U        V      W      HEIGHT   PRED HEIGHT      SYMM#
   1   -1.469   0.000  -0.333   5487.88     7535.41          2

 Overall quality of this Patterson soln =  8171.09    
 Overall quality of the fit to patterson =  2.49217    
 Avg normalized peak height =  3654.22    


 Cross-validation fouriers calculated with all heavy atoms in 
 all derivs except the site being evaluated and any sites equivalent to it.

  Site    x       y       z       occ       B     -- PEAK  HEIGHT --

    1   0.059   0.944   0.614   0.908  35.825              5.63
    2   0.732   0.232   0.168   0.264  15.000              6.18

 Summary of scoring for this solution:
                           -- over many solutions--    -- this solution --
 Criteria                       MEAN          SD         VALUE        Z-SCORE
 Pattersons:                   1.90        0.533         6.09         7.86    
 Cross-validation Fourier:     2.24        0.554         9.84         13.7    
 NatFourier CCx100:            3.56         2.04         8.46         2.40    
 Mean figure of meritx100:    0.000E+00     7.80         51.2         6.57    
 Correction for Z-scores:                                            -4.22    

 Overall Z-score value:                                               26.3    


 ****** Overall analysis of phasing for solution            1************


 HEAVY:  Refine heavy atom parameters

 File title:                                                                                 
 CRYSTALLOGRAPHIC PARAMETERS

     A =  76.00     B =  28.00     C =  42.00     alpha =  90.00     beta = 103.00     gamma =  90.00

 PHASES CALCULATED EVERY   5 DEGREES
 RESIDUALS CALCULATED ON EXTRA ZEROTH CYCLE ONLY
 SIGMAS FROM data FILE WILL BE USED
 STATISTICS WILL BE PRINTED ON ZEROTH CYCLE, SHIFTS ON LAST
 PHASING WILL BE DONE TAKING INTO ACCOUNT THE CORRELATIONS AMONG DERIVATIVES
 THE GROUPS OF DERIVATIVES WITH CORRELATIONS WILL BE UPDATED
 THE BETA VALUES FOR EACH DERIV  WILL BE SET TO 1.0
 PHASE-AVERAGED RESIDUALS WILL BE USED FOR PHASING

 TYPE OF REFINEMENT SELECTED:
 UNPHASED ORIGIN-REMOVED  PATTERSON REFINEMENT ONLY

 Bayesian correlated MAD phasing will be used with wavelength            2
  as the reference wavelength.

 RESOLUTION LIMITS IN ANGSTROMS:      3.000    20.000
 MINIMUM RATIO OF FDER TO RMS LACK-OF-CLOSURE FOR  INCLUSION IN REFINEMENT OR PHASING=      0.000
 MINIMUM NATIVE F:      0.000
 MINIMUM FIGURE OF MERIT FOR PHASED REFINEMENT:      0.000
 MINIMUM ALLOWED ISOTROPIC B:      0.000
 PARAMETER SHIFTS GREATER THAN     0.0000 TIMES SIGMA  WILL BE SCALED BY     0.5000
 MINIMUM RATIO OF FNAT/SIGMA OR FDER/SIGMA TO INCLUDE:      1.000

 NUMBER OF REFINEMENT CYCLES IS      2
 DERIVATIVES REFINED DURING THESE CYCLES ARE :  0  0
 TYPE OF OUTPUT SELECTED IS: +10 COLUMNS OF HENDRICKSON-LATTMAN COEFFICIENTS
1 INPUT data FILE WITH  12 COLUMNS IS: 
 mad_fpfm.scl                                                                    
 COLUMN  0 : mad_fpfm.scl Fnat,sig,(F+,sig,F-,sig)n                                  
 COLUMN  1 : F from I_TO_F       set 1 with 2 se atoms, lambda 1                     
 COLUMN  2 : SIGMA of F          set 1 with 2 se atoms, lambda 1                     
 COLUMN  3 : F from I_TO_F       set 1 with 2 se atoms, lambda 1                     
 COLUMN  4 : SIGMA of F          set 1 with 2 se atoms, lambda 1                     
 COLUMN  5 : F from I_TO_F       set 2                                               
 COLUMN  6 : SIGMA of F          set 2                                               
 COLUMN  7 : F from I_TO_F       set 2                                               
 COLUMN  8 : SIGMA of F          set 2                                               
 COLUMN  9 : F from I_TO_F       set 3                                               
 COLUMN 10 : SIGMA of F          set 3                                               
 COLUMN 11 : F from I_TO_F       set 3                                               
 COLUMN 12 : SIGMA of F          set 3                                               


 DERIVATIVE INFORMATION FOR  3 COMPOUNDS


 COMPOUND 1     set 1 with 2 se atoms, lambda 1                                                 
 COLUMNS FOR F+, SIGMA, F-, SIGMA     1    2    3    4
 THIS DERIVATIVE WILL NOT BE USED IN PHASING
 ANOMALOUS DIFFERENCES WILL BE USED IN PHASING FOR THIS DERIVATIVE
 AFTER OVERALL SCALING OBSERVED STRUCTURE FACTORS AND SIGMAS WILL BE
 DIVIDED BY :     1.000*EXP(     0.000*(SIN theta/LAMBDA)**2 )
 THEN SIGMAS WILL BE MULTIPLIED BY      1.000
 NO PARAMETERS REFINED FOR ATOM LAM1 WITH ZERO OCCUPANCY

 COMPOUND 2     set 2                                                                           
 COLUMNS FOR F+, SIGMA, F-, SIGMA     5    6    7    8
 THIS DERIVATIVE WILL BE USED IN PHASING
 ANOMALOUS DIFFERENCES WILL BE USED IN PHASING FOR THIS DERIVATIVE
 AFTER OVERALL SCALING OBSERVED STRUCTURE FACTORS AND SIGMAS WILL BE
 DIVIDED BY :     1.000*EXP(     0.000*(SIN theta/LAMBDA)**2 )
 THEN SIGMAS WILL BE MULTIPLIED BY      1.000

 COMPOUND 3     set 3                                                                           
 COLUMNS FOR F+, SIGMA, F-, SIGMA     9   10   11   12
 THIS DERIVATIVE WILL NOT BE USED IN PHASING
 ANOMALOUS DIFFERENCES WILL BE USED IN PHASING FOR THIS DERIVATIVE
 AFTER OVERALL SCALING OBSERVED STRUCTURE FACTORS AND SIGMAS WILL BE
 DIVIDED BY :     1.000*EXP(     0.000*(SIN theta/LAMBDA)**2 )
 THEN SIGMAS WILL BE MULTIPLIED BY      1.000
 NO PARAMETERS REFINED FOR ATOM LAM3 WITH ZERO OCCUPANCY
 CARRYING OUT STANDARD REFINEMENT
 Total of            2 cycles will be done
 Derivs refined will be            0           0

 SUMMARY OF RESULTS ON FINAL CYCLE: 

 NUMBER OF REFLECTIONS READ =    1822
 NUMBER OF F .GT. FMIN      =    1822
 NUMBER OF F IN RES. LIMITS =    1822
 NUMBER OF F .GT. MIN <M>   =    1800
 NUMBER OF F USED TO REFINE =       0



 FIGURE OF MERIT <      0.1  0.2  0.3  0.4  0.5  0.6  0.7  0.8  0.9  1.0
 # OF REFLECTIONS       96   60   85  106   95  132  150  183  304  611

 FIGURE OF MERIT WITH RESOLUTION
 DMIN:           TOTAL    9.91   6.56   5.22   4.46   3.96   3.60   3.32   3.09
 N:                1822    106    152    202    220    247    278    298    319
 MEAN FIG MERIT:   0.70   0.65   0.70   0.69   0.63   0.68   0.72   0.71   0.74







 COMPOUND  2          set 2                                                                           
 DMIN:           TOTAL    9.91   6.56   5.22   4.46   3.96   3.60   3.32   3.09

 ESTIMATES OF LACK-OF-CLOSURE RESIDUALS LESS AVERAGE VALUE OF
 SIGMAS IN data (AS INPUT TO NEXT CYCLE)
 CENTRIC LOC:             35.9   55.0   19.2   55.4   16.9   15.0   12.0   11.0
 CORRELATED ERR:           0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0

 Analysis of correlated modeling and non-isomorphism errors
 obtained using phased residuals.
 The derivatives were grouped into 1 sets  where the members of a set
 had some mutual correlation.


 Set 1 contains derivatives  2


 PARAMETER SHIFTS FOR DERIV  2 : set 2                                                                           

                         SCALE FACTOR     OVERALL B
 CURRENT VALUES:          1.0000          0.0000



                    SITE  ATOM       OCCUP     X       Y       Z         B


 CURRENT VALUES:      1    LAM2     0.9082  0.0586  0.9444  0.6144   35.8248

 CURRENT VALUES:      2    LAM2     0.2637  0.7322  0.2324  0.1681   15.0000



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


 *** Summary of solutions and their relationships to each other ***


 ----------------------------------------------------------
 solution #           1 with overall quality =   26.31885    
 Derivative            2 with            2 sites.
 Overall scale =    1.000000     and  overall b of   0.0000000E+00
  5.8612883E-02  0.9444444      0.6144053      0.9081657       35.82475    
  0.7322087      0.2324128      0.1680580      0.2637053       15.00000    

