Re: [ccp4bb]: Denzo v. Mosflm

[James Stroud <James.Stroud@colorado.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Thank you to every one for your suggestions. I have tried a couple and the
results have been splendid. The most effective suggestion I've tried so far
has been to increase the profile radius from 10 to 25. Worked like a charm.
The new stats are below. I will try other suggestions to see if I can reduce
my R-facs to something reasonable. As soon as I exhaust your ideas I will
post a summary befitting the excellent suggestions I have received.

James

 Shell Lower Upper Average      Average     Norm. Linear Square
 limit    Angstrom       I   error   stat. Chi**2  R-fac  R-fac
      20.00   7.29  7274.3   219.8    75.5  0.796  0.033  0.038
       7.29   5.83  3197.0   112.7    63.1  0.932  0.047  0.048
       5.83   5.11  3075.6   113.4    69.9  0.944  0.050  0.051
       5.11   4.65  3250.9   129.5    84.7  0.953  0.054  0.053
       4.65   4.32  3033.2   132.1    91.8  0.997  0.062  0.057
       4.32   4.06  2633.1   169.7   102.0  0.768  0.072  0.067
       4.06   3.86  1906.0   141.1    98.6  0.908  0.096  0.083
       3.86   3.70  1532.7   132.4   101.0  0.986  0.124  0.101
       3.70   3.55  1227.3   127.4   105.7  1.052  0.156  0.123
       3.55   3.43  1046.8   125.9   108.9  1.133  0.190  0.146
       3.43   3.33   945.7   124.5   109.2  1.172  0.202  0.117
       3.33   3.23   777.8   122.1   110.5  1.163  0.236  0.125
       3.23   3.15   602.2   117.3   108.5  1.211  0.295  0.145
       3.15   3.07   349.0   110.5   107.0  1.215  0.511  0.311
       3.07   3.00   228.6   107.3   105.6  1.206  0.839  0.562
  All reflections   2068.2   132.4    96.2  1.027  0.091  0.064

     Shell             Summary of observation redundancies:
  Lower Upper      % of reflections with given No. of observations
  limit limit     0     1     2     3     4   5-6   7-8  9-12  total
  20.00  7.29   6.5   4.0   9.1   8.0  15.7  15.7  12.2  28.9   93.5
   7.29  5.83   5.5   5.2   6.9   9.6  13.8  15.4  13.2  30.4   94.5
   5.83  5.11   4.8   5.5   6.2  10.5  12.5  17.2  13.1  30.1   95.2
   5.11  4.65   4.4   5.6   6.2  10.9  11.7  17.5  13.4  30.2   95.6
   4.65  4.32   4.2   5.7   6.3  11.1  11.4  17.1  14.9  29.2   95.8
   4.32  4.06   3.8   5.9   6.4  11.4  11.0  17.0  15.2  29.2   96.2
   4.06  3.86   3.6   5.7   6.8  10.9  10.5  17.5  15.9  29.2   96.4
   3.86  3.70   3.7   5.6   7.0  11.7   9.9  17.2  15.6  29.4   96.3
   3.70  3.55   3.3   5.4   6.9  11.6  10.6  17.7  16.3  28.3   96.7
   3.55  3.43   3.1   5.8   7.0  11.4  10.0  17.4  16.8  28.5   96.9
   3.43  3.33   3.2   5.5   7.0  11.7  10.4  17.5  16.4  28.4   96.8
   3.33  3.23   2.9   5.6   7.5  11.0  10.2  17.5  17.4  27.7   97.1
   3.23  3.15   2.9   5.3   7.2  11.8  10.4  17.4  17.3  27.7   97.1
   3.15  3.07   2.7   5.5   7.2  11.5  10.0  18.5  17.8  26.8   97.3
   3.07  3.00   2.7   5.3   7.4  11.3  10.3  18.2  19.7  25.2   97.3
 All hkl        3.8   5.4   7.0  11.0  11.2  17.2  15.7  28.6   96.2
 

--------------------------------------------------------
"Research: If it worked the first time,
they would just call it 'search'."     -Roy Garcia
--------------------------------------------------------
 James C. Stroud
 Department of Chemistry and Biochemistry
 University of Colorado at Boulder
 Boulder, CO 80309

 Tel: 303-492-4503      Fax: 303-735-1347
--------------------------------------------------------