any

any (version 1.5 2007091300) started on fagot at 19-Sep-2007 23:44:44
Created any.log

data from final.y
51720 reflections type dtb id mar1 beamstopangle 90.0 swingdirection -1.0 rotationdirection -1.0 -1.0 -1.0
  swingaxis 0.0 1.0 0.0 kappachiaxis -1.0 0.0 0.0 rotax000 0.0 -1.0 0.0 offset 0.0 0.0 0.0
Start mdian2 on 51720 reflections median=7897.25 presentationscale=0.0002533
1122 too negative reflections (allowed) 15663 weak reflections (allowed)
2890 bad background reflections (2890 set on quality. 0 with fixed badbg flag) (forbidden)
Status for final.y
RMAT 1
               RMAT                                     DMAT
   0.0008068   0.0036088   0.0159178      -10.5550470 -93.5390015  41.4606171
  -0.0111638  -0.0046453   0.0007132       33.9133377   9.9089050 -96.6002655
  -0.0008619  -0.0095615   0.0056614       55.6690826   2.4945667  19.7992554
Determinant:  0.1845529E-05                             541850.2
Cell: 102.85882 102.85870 59.13781 89.9997 90.0004 119.9998 V= 541850.19
Bravais=P pg=-3
Lambda=0.846899 pointgroup=-3
reflections=51720 unique=23403 weak=15663 negative=1122 badbg=2890
Unique: H from -41 to 0, K from 0 to 35, L from -23 to 23
Full Sphere: H from -41 to 41, K from -41 to 41, L from -23 to 23
Max equivalents 4 sigmaorig data range 0.0067 to 78.0865 sigmaorig data range 0.0067 to 78.0865
sigmaorig data range 0.0067 to 78.0865
intensity data range -29.6613 to 3469.7493 sigmaorig data range 0.0067 to 78.0865 2 Experiments 32 Sets nimage 66
presentationscale 0.0002533
Selectable: GOOD WEAK EDGEVER EDGEHOR EDGEROT BADBG NEGATIVE OVERFLOW MAXSHIFT UNKNOWNBACKGROUND
Forbid: EDGEVER EDGEHOR EDGEROT BADBG OVERFLOW MAXSHIFT UNKNOWNBACKGROUND
Allow: GOOD WEAK NEGATIVE
Require: NONE
Rsym=0.078 Rmeas=0.103 Rpim=0.066 Chi2=181.216 MeanI=53.356 nMean=44117 Unique=15196 nRsym=37082

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Completeness and Rmerge for Shells
Forbid: EDGEVER EDGEHOR EDGEROT BADBG OVERFLOW MAXSHIFT UNKNOWNBACKGROUND
Allow: GOOD WEAK NEGATIVE
Require: NONE
Sh Theta Reso  Meas  Equi    Obs   Mis  Total Perc Cum%  Uniq  Nref  Rsym Rmeas  Rpim    Chi2
 1  4.62 5.25  5065  8457  13522  2092  15614 86.6 86.6  1836  4644 0.055 0.071 0.045 1417.30
 2  5.83 4.17  5164  9390  14554  1124  15678 92.8 89.7  1836  4573 0.055 0.073 0.047    3.37
 3  6.68 3.64  4958  9542  14500  1098  15598 93.0 90.8  1751  4291 0.063 0.083 0.054    2.33
 4  7.35 3.31  4737  9797  14534  1110  15644 92.9 91.3  1664  3978 0.084 0.111 0.072    2.35
 5  7.92 3.07  4546  9940  14486  1304  15790 91.7 91.4  1546  3677 0.143 0.189 0.122    3.39
 6  8.42 2.89  4521  9785  14306  1170  15476 92.4 91.6  1512  3648 0.256 0.337 0.217    4.25
 7  8.87 2.75  4629 10061  14690  1110  15800 93.0 91.8  1533  3713 0.425 0.558 0.359    4.88
 8  9.28 2.63  4704  9812  14516  1098  15614 93.0 91.9  1582  3866 0.814 1.068 0.685    5.00
 9  9.65 2.53  4591  9607  14198  1386  15584 91.1 91.8  1539  3763 1.097 1.437 0.917    5.08
10  9.75 2.50  1202  2818   4020   472   4492 89.5 91.8   396   927
=============================================================================================
    9.75 2.50 44117 89209 133326 11964 145290      91.8 15195 37080 0.078 0.103 0.066  181.23

5 too negative reflections (allowed) 34357 weak reflections (allowed)
363 bad background reflections (363 set on quality. 0 with fixed badbg flag) (forbidden)

Created final.pk 30621 lines written. (filter: 46044 allow 30621 shift) Closed final.pk

any ended at 19-Sep-2007 23:44:49 CPU time used 00:00:05