dirax

dirax (version 1.14 2007091700) started on fagot at 19-Sep-2007 21:35:32
   Albert J.M. Duisenberg, Indexing in Single-Crystal Diffractometry with an Obstinate List of Reflections
   J. Appl. Cryst. (1992). 25,92-96.
                    C O N D I T I O N S    F O R    U S E
                    =====================================
a. You may not copy DirAx neither the auxiliary files except for use by yourself or for use in your laboratory, institute,
   office and the like.
b. You may not hand over DirAx in any form to third parties without provable permission from the author.
c. You use DirAx at your own responsibility completely.
   Albert J.M. Duisenberg, Antoine M.M. Schreurs
   BIJVOET Centre for Biomolecular Research
   Laboratory for Crystal and Structural Chemistry
   Utrecht University since A.D. MDCXXXVI
   Padualaan 8, NL-3584 CH UTRECHT
   The Netherlands
   Electronic MAIL addresses: a.j.m.duisenberg@chem.uu.nl a.m.m.schreurs@chem.uu.nl

 Created by view (version 1.4 2007082100) at 19-Sep-2007 21:34:57
 Host fagot User schreurs WD /work/schreurs/coursetest/
 delta 0.0 0.0 0.0
 detzero 0.0 0.0 0.0
805 c-vectors from file i1.drx.

86943220 triplets
30000 triplets used
Randomizing [i,j,k]...
30000 random triplets
29992 triplet vectors
Squishd: 29992 t vectors ==> 29992 t vectors
Sorting 29992 t vectors...
Reducing 29992 t vectors ==> 28776 t vectors
Acl  #H    a       b       c     alpha   beta  gamma   Volume
805 805  61.979  98.089 100.974 117.66  93.61  87.64   542605
633 804  62.003  98.062 100.056 115.69  97.37  87.64   543619
620 805  62.120  94.591 103.075 104.36  91.35  93.48   585195
Solutions limited by voltest
selected ACL 805

Sigma calculation aborted after 20000 cells
20000 cell calculations
 LSQ   61.9790   98.0891  100.9738 117.655  93.614  87.641 542604.875
 Mean  64.7824  156.0461  142.7153 134.040 102.839  69.882 561813.125
 Max  784.4395 3577.7014 3055.5156 178.338 177.116 111.567
 Min   31.5666   94.6967   54.3267  99.871  59.181   0.335
Sigma   0.2047    0.6359    0.5404   0.094   0.189   0.202    470.809
Created i1.rmat

dirax ended at 19-Sep-2007 21:35:40 CPU time used 00:00:07