evalccd

evalccd (version 1.6 2007081700) started on fagot at 19-Sep-2007 23:13:06
Created evalccd.log
Enter *.shoe* filename [s01f001.shoe.Z] s01f002.shoe.Z
Trying xtal.evc
!! Spheric xtal dia 0.3 (mm)
!! Isotropic Mosaicity 0.3 (degrees)
!! Collimator 1.0
!! Focus 220.0 0.4 0.4
!! 10 shifts allowed
!! Maximum shifts: hor 3.0 ver 3.0 (mm) rot 3.0 (degrees) xy 4.24 mm
!! ShiftInit hor 0.0 ver 0.0 (mm) rot 0.0 (degrees)
!! DxFactor 1.0
!! ExpandMargin 1.0 (pixels) ExpandDepth 1.5 (images)
!! noautoexpand
!! noautoexpand2
!! noautoexpand3
!! noautoexpand4
!! Remove pixels 3.0*sigma off plane
!! PQOBSERVED 20.0
!! BADBG 1.0 bad background if BgQual is greater
!! flag badbg if I/Sig > 2.5
!! allow shifts if I/Sig > 2.5
!! shiftshare 0.2 shift if Nshare/(Npeak+Nshare)sumfactor
!! splitpqratio 1000.0 split if PQHigh/PQlow > splitpqratio
!! splitfactor 0.1 split if Nshare/(Npeak+Nshare)
  change any of these data [Yes]
  yes
  
Spherical Crystal [yes] yes
Sphere dia (mm)[0.3] 0.2
Isotropic mosaicity[0.3] 0.3
Extra Anisotropic Mosaicity [no] no
Focus Distance(mm)[220.0] 1000
Focus Width(mm)[0.4] 0.1
Focus Length(mm)[0.4] 0.1
collimator diameter(mm)[1.0] a
!! Spheric xtal dia 0.2 (mm)
!! Isotropic Mosaicity 0.3 (degrees)
!! Collimator 1.0
!! Focus 1000.0 0.1 0.1
!! 10 shifts allowed
!! Maximum shifts: hor 3.0 ver 3.0 (mm) rot 3.0 (degrees) xy 4.24 mm
!! ShiftInit hor 0.0 ver 0.0 (mm) rot 0.0 (degrees)
!! DxFactor 1.0
!! ExpandMargin 1.0 (pixels) ExpandDepth 1.5 (images)
!! noautoexpand
!! noautoexpand2
!! noautoexpand3
!! noautoexpand4
!! Remove pixels 3.0*sigma off plane
!! PQOBSERVED 20.0
!! BADBG 1.0 bad background if BgQual is greater
!! flag badbg if I/Sig > 2.5
!! allow shifts if I/Sig > 2.5
!! shiftshare 0.2 shift if Nshare/(Npeak+Nshare)sumfactor
!! splitpqratio 1000.0 split if PQHigh/PQlow > splitpqratio
!! splitfactor 0.1 split if Nshare/(Npeak+Nshare)
  save data in xtal.evc [Yes]
  yes
  
Created xtal.evc
s01f002.shoe.Z Opened
Trying s01f002.evc
Refl nr [1] 1
Goniostatoffset: ToGoniostatRotZero
   1.0000000   0.0000000   0.0000000
   0.0000000   0.0000000  -1.0000000 Determinant:  1.000000
   0.0000000   1.0000000   0.0000000
SCAN PHI PIXELSIZE 0.15 0.15 DETECTORSIZE 172.5 172.5 Dist 480.0
End-Of-Header
Stored rmat as 1 Cell: 102.8588 102.8587 59.1378 90.000 90.000 120.000 Volume: 541850.2
SetupPolarisation OSMIC W/S=1.0 polar=0.5 pn1=(0.0 1.0 0.0) pn2=(0.0 0.0 1.0) Alpha:0.846899 Mid:0.846899 Mean:0.846899
Lambda:0.846899 AlphaCorrection:0.0 polar:0.5
Neighbour check ON
            RMAT000[1]                         at Goniostat (RotZero)
   0.0008068   0.0036088   0.0159178        0.0008068   0.0036088   0.0159178
  -0.0111638  -0.0046453   0.0007132        0.0008619   0.0095615  -0.0056614
  -0.0008619  -0.0095615   0.0056614       -0.0111638  -0.0046453   0.0007132
Determinant:  0.1845529E-05                            0.1845529E-05
Orig: hor=13.41 ver=-89.33 rot=25.0 hkl: 13.41 -89.33 25.0 diff: 0.0 0.0 0.0
beamstopvector -480.0 0.0 0.0 MIDLINE swing=0.0 myrotax 0.0 -50.0 0.0 beamstop=-480.0 0.0 0.0 dethor=172.5 detver=172.5
v -480.0 -50.0 0.0 detvec -480.0 0.0 0.0 f=2.23 beamstop -480.0 0.0 0.0 rax -480.0 -50.0 0.0 from -172.5 0.0 to 172.5 0.0
DurationArc DetectorSmax 0.55 detectorthmax 13.51 generated 125 neighbours tested 26
Frame: 3033.95 3091.9 3099.67 3017.31 2991.25
Theta:5.33 Resolution: 4.56 Chi:-8.5 Duration:1.02
Contour: H(12.84,14.01)=1.16[8] V(-89.73,-88.94)=0.78[5] R(-1.39,0.39)=1.79[2]
Pixels: Peak=62/5.5% Surface=104 Bg=1021
Excluded: 42 HV=28/26.92% I(Ex/Pk)=16.36% I(HV/Pk)=12.89% BadI 4.05%
Background: A=-1.14 B=-1.81 C=3066.05 Sig=77.43 Slope=0.53
Intensity: Hor=148371.09 Ver=150905.73 Rot=154781.0 Plane=154523.27 BgQual=0.04 (peakbg=154471.48)
Shifts:2 H 0.06px 0.01mm V -0.01px 0.0mm rot=-0.11 Frames=2 dxfactor=1.00003 AlphaCorrection: 0.0 0.0 0.0
RotCorrection: 0.0 0.0 0.11
Final Position: 13.42 -89.33 24.89 Integrated Position: 13.42 -89.33 25.0
Rnet=154523.27 Poisson=725.42 (sigBPB=595.46) GarbageSigma=6263.46 Weight=609.68 PQ=253.45 I/Sig=213.01
Corrections: Lorentz:4.6304 Polar:0.9829 LP:0.2197 Incidence:1.0 Final:0.2197
Corrected: Rnet=33952.27 Sigma=159.39 newSigma=1376.22
   nr   h   k   l QVP   DetH   DetV     Rot         Int sigPois      PQ obxXyYzZ
    1  15   5   5      13.42 -89.33   24.89     33952.3  1376.2   253.5 ........
Refl nr [2] \repeat 5 pq20 \wait 5
    2  17 -19   8     -88.18 -48.83   25.06       857.5    72.5    11.9 ........
Orig: hor=52.28 ver=66.16 rot=25.0 hkl: 52.28 66.16 25.0 diff: 0.0 0.0 0.0
generated 125 neighbours tested 6
Frame: 3039.87 3027.67 3025.25 3029.2 3021.24
Theta:4.98 Resolution: 4.88 Chi:-38.15 Duration:1.28
Contour: H(51.73,52.82)=1.09[7] V(65.68,66.66)=0.98[7] R(-1.43,0.44)=1.88[2]
Pixels: Peak=62/5.5% Surface=100 Bg=1055
Excluded: 8 HV=1 Rot=2 I(Ex/Pk)=6.85% BadI 7.06%
Background: A=-0.87 B=-0.43 C=3039.4 Sig=61.84 Slope=0.3
Intensity: Hor=18822.43 Ver=18145.85 Rot=15491.33 (2) Plane=18785.87 BgQual=0.19 (peakbg=18773.39)
Shifts:2 H -0.03px 0.0mm V 0.04px 0.01mm rot=0.19 Frames=2 dxfactor=1.00002 AlphaCorrection: 0.0 0.0 0.0
RotCorrection: 0.0 0.0 -0.19
Final Position: 52.28 66.17 25.19 Integrated Position: 52.28 66.17 25.0
Rnet=18785.87 Poisson=505.89 (sigBPB=466.48) GarbageSigma=1325.57 Weight=486.96 PQ=38.58 I/Sig=37.13
Corrections: Lorentz:6.2378 Polar:0.985 LP:0.1627 Incidence:1.0 Final:0.1627
Corrected: Rnet=3057.38 Sigma=82.33 newSigma=215.74
   nr   h   k   l QVP   DetH   DetV     Rot         Int sigPois      PQ obxXyYzZ
    3 -19  12  -5      52.28  66.17   25.19      3057.4   215.7    38.6 ........
Waiting 5.0 seconds    4 -25  -2  -4      -7.53 124.92   25.07      3130.2   166.3    19.2 ........
 Orig: hor=-50.13 ver=62.85 rot=25.01 hkl: -50.13 62.85 25.01 diff: 0.0 0.0 0.0
generated 125 neighbours tested 6
Frame: 3117.01 3129.05 3124.62 3076.21 3035.94
Theta:4.75 Resolution: 5.11 Chi:38.42 Duration:1.28
Contour: H(-50.65,-49.58)=1.07[7] V(62.42,63.34)=0.92[6] R(-1.43,0.45)=1.88[2]
Pixels: Peak=64/5.7% Surface=104 Bg=1022
Excluded: 39 HV=27/25.96% I(Ex/Pk)=6.91% I(HV/Pk)=5.73% BadI 2.47%
Background: A=1.09 B=1.12 C=3076.7 Sig=78.14 Slope=0.4
Intensity: Hor=255888.94 Ver=257016.38 Rot=261022.67 Plane=260035.98 BgQual=0.02 (peakbg=259933.16)
Shifts:2 H 0.11px 0.02mm V 0.18px 0.03mm rot=-0.1 Frames=2 dxfactor=1.00013 AlphaCorrection: 0.0 0.0 0.0
RotCorrection: 0.0 0.0 0.1
Final Position: -50.12 62.88 24.91 Integrated Position: -50.12 62.88 25.01
Rnet=260035.98 Poisson=806.72 (sigBPB=685.88) GarbageSigma=6425.67 Weight=625.1 PQ=415.99 I/Sig=322.34
Corrections: Lorentz:6.5549 Polar:0.9864 LP:0.1547 Incidence:1.0 Final:0.1547
Corrected: Rnet=40219.25 Sigma=124.77 newSigma=993.85
   nr   h   k   l QVP   DetH   DetV     Rot         Int sigPois      PQ obxXyYzZ
    5  -8 -12   0     -50.12  62.88   24.91     40219.3   993.8   416.0 ........
Waiting 5.0 seconds    6  23   8   9      19.20-144.96   25.04       418.8   145.9     2.9 .B......
 Orig: hor=31.63 ver=91.37 rot=25.01 hkl: 31.63 91.37 25.01 diff: 0.0 0.0 0.0
generated 125 neighbours tested 26
Frame: 3302.16 3345.22 3347.5 3325.5 3317.96
Theta:5.69 Resolution: 4.27 Chi:-19.0 Duration:1.06
Contour: H(31.06,32.29)=1.23[8] V(90.97,91.83)=0.86[6] R(-1.39,0.41)=1.81[2]
Pixels: Peak=72/6.4% Surface=116 Bg=1046
Excluded: 7 HV=4 Rot=1 I(Ex/Pk)=3.53% BadI 2.31%
Background: A=0.02 B=-2.55 C=3345.89 Sig=83.74 Slope=0.43
Intensity: Hor=57117.98 Ver=56447.85 Rot=61909.0 Plane=59935.32 BgQual=0.09 (peakbg=60085.11)
Shifts:2 H 0.3px 0.04mm V 0.16px 0.02mm rot=0.16 Frames=2 dxfactor=1.00037 AlphaCorrection: 0.0 0.0 0.0
RotCorrection: 0.0 0.0 -0.16
Final Position: 31.67 91.4 25.17 Integrated Position: 31.67 91.4 25.01
Rnet=59935.32 Poisson=751.55 (sigBPB=562.06) GarbageSigma=1385.15 Weight=710.56 PQ=84.35 I/Sig=79.75
Corrections: Lorentz:4.5372 Polar:0.9805 LP:0.2248 Incidence:1.0 Final:0.2248
Corrected: Rnet=13472.79 Sigma=168.94 newSigma=311.37
   nr   h   k   l QVP   DetH   DetV     Rot         Int sigPois      PQ obxXyYzZ
    7 -22   7  -5      31.67  91.40   25.17     13472.8   311.4    84.3 ........
Waiting 5.0 seconds Orig: hor=-50.86 ver=96.63 rot=25.01 hkl: -50.86 96.63 25.01 diff: 0.0 0.0 0.0
generated 125 neighbours tested 32
Frame: 3289.4 3301.12 3318.79 3306.18 3296.25
Theta:6.41 Resolution: 3.79 Chi:27.57 Duration:1.14
Contour: H(-51.45,-50.2)=1.25[8] V(96.25,97.19)=0.94[6] R(-1.41,0.42)=1.83[2]
Pixels: Peak=80/7.1% Surface=124 Bg=1034
Excluded: 11 HV=7/5.65% I(Ex/Pk)=2.57% I(HV/Pk)=3.24% BadI 4.86%
Background: A=-0.11 B=2.18 C=3284.93 Sig=63.53 Slope=0.5
Intensity: Hor=51929.97 Ver=52811.41 Rot=56696.33 Plane=53782.92 BgQual=0.09 (peakbg=53628.62)
Shifts:3 H 0.23px 0.04mm V 0.58px 0.09mm rot=0.02 Frames=2 dxfactor=1.00054 AlphaCorrection: 0.0 0.0 0.0
RotCorrection: 0.0 0.0 -0.02
Final Position: -50.83 96.72 25.03 Integrated Position: -50.83 96.72 25.01
Rnet=53782.92 Poisson=613.74 (sigBPB=581.68) GarbageSigma=2613.68 Weight=568.24 PQ=94.65 I/Sig=87.63
Corrections: Lorentz:4.3106 Polar:0.9754 LP:0.2378 Incidence:1.0 Final:0.2378
Corrected: Rnet=12791.91 Sigma=145.97 newSigma=621.65
   nr   h   k   l QVP   DetH   DetV     Rot         Int sigPois      PQ obxXyYzZ
    8 -15 -12  -1     -50.83  96.72   25.03     12791.9   621.6    94.6 ........
Waiting 5.0 seconds Orig: hor=69.25 ver=81.52 rot=25.01 hkl: 69.25 81.52 25.01 diff: 0.0 0.0 0.0
generated 125 neighbours tested 14
Frame: 3378.4 3403.81 3406.16 3377.59 3347.56
Theta:6.28 Resolution: 3.87 Chi:-40.06 Duration:1.32
Contour: H(68.7,69.88)=1.18[8] V(80.98,82.06)=1.08[7] R(-1.44,0.45)=1.89[2]
Pixels: Peak=76/6.8% Surface=118 Bg=1030
Excluded: 19 HV=12/10.17% I(Ex/Pk)=10.31% I(HV/Pk)=7.7% BadI 5.03%
Background: A=2.78 B=4.47 C=3322.82 Sig=70.12 Slope=1.45
Intensity: Hor=78954.77 Ver=79425.55 Rot=83207.66 Plane=82018.52 BgQual=0.05 (peakbg=81996.64)
Shifts:2 H 0.31px 0.05mm V 0.04px 0.01mm rot=0.22 Frames=2 dxfactor=1.00031 AlphaCorrection: 0.0 0.0 0.0
RotCorrection: 0.0 0.0 -0.22
Final Position: 69.29 81.52 25.22 Integrated Position: 69.29 81.52 25.01
Rnet=82018.52 Poisson=675.09 (sigBPB=598.25) GarbageSigma=4121.94 Weight=611.33 PQ=134.16 I/Sig=121.49
Corrections: Lorentz:5.1088 Polar:0.9763 LP:0.2005 Incidence:1.0 Final:0.2005
Corrected: Rnet=16443.45 Sigma=135.35 newSigma=826.39
   nr   h   k   l QVP   DetH   DetV     Rot         Int sigPois      PQ obxXyYzZ
    9 -24  16  -6      69.29  81.52   25.22     16443.5   826.4   134.2 ........
Waiting 5.0 seconds
Refl nr [10] exit
s01f002.shoe.Z closed after 57344 bytes 844 lines
Initial shifts 0.0 mm 0.0 mm 0.0 degr.
9 mean shifts [abs] after 6(hv) 6(rot) refls: 0.02[0.03] 0.03[0.03] 0.06[0.13]
dxfactor 1.00025 --> 1.00025
Minimum shifts:0.0 0.0 -0.11 Maximum shifts:0.05 0.09 0.22
9 input, one bad background, 2 Weak, 6 Observed, no output
9 reflections processed in 00:00:00 CPU.
evalccd ended at 19-Sep-2007 23:13:31 CPU time used 00:00:00