[Frames] in_list used=762 762 [Runs] in_list used=8 8 [Profile analysis] frames done=762 refs_tested refs_used=7032 1731 [Integration] frames done=762 reflections fitted=7256 is stopped due to ref limit=0 [Reflections lost] skipregion=211 overflow=0 [Outliers] rejected=21 [Special tools] dac_rejection angle=0 0.000000000 incommensurate=0 hkl reduction list=0 [User options] run from wizard=1 follow background=0 single frame background scaling=0 per frame model refinement=1 2-cycle 3D peak analysis=1 3D profile fitting=1 noncentrosymmetric SM=0 [Mosaicity] number of runs=8 run -1=0.000000000 0.000000000 0.000000000 run 0=0.928110414 0.982295258 0.981774697 run 1=0.919707242 0.919165526 1.039734770 run 2=0.945422504 0.956994089 1.001448356 run 3=0.937605035 0.939263160 0.968916738 run 4=0.969796490 0.992490538 0.940808344 run 5=0.944611506 0.942843477 0.966315905 run 6=0.972911823 1.008473096 0.979910802 run 7=0.977316203 0.987508963 0.998736314 [Incidence angle profile correction] min max axis1based=1.251 0.903 2 [Scale abspack] frame glued min max=19 0.722416348 1.230971626 frame auto=1 detector grid min max=0 0.000000000 0.000000000 absorption even odd min max=4 3 0.359332453 1.612834411 absorption auto=1 rejected frames observations=0 0 bfactors framesperbfactor bmin bmax bcormin bcormax=0 0.000000000 0.000000000 0.000000000 0.000000000 friedel mate for noncentro=0 fallback friedel4nc flipped=0 full correction min max=0.524684644 3.069207675 [Numerical absorption] used=0 Tmin Tmax=10000000.000000000 -0.010000000 absorb=0 [Finalization input file name] file="xs2212a_max" [Last used rrp in Olex2Lite] file="xs2212a_max" [Finalization output hkl file name] file="xs2212a_max" [Last used hkl in Olex2Lite] file="xs2212a_max" [Diffraction images] image 1="C:\Users\msiegle2\Desktop\xs2212a\frames\xs2212a_8_86.img" image 2="C:\Users\msiegle2\Desktop\xs2212a\frames\xs2212a_3_64.img" [Twin data reduction] num of components=0 component 0 based=0 is multi crystal=0 is proffittwin=0 is twin finalization=0 decomposition threshold=0.0000 hklf4 export limit=0.0000 [Space group] descriptor="F" descriptorfound="F" number1based=F cifdescriptor="F" ToStdTransf=F CellChoice=F Weak data warning=0 Strange absences warning=0 [Gral input info] a b c al be ga v num I/sig=F keep user cell=0 considered space groups=0 [Gral lattice 2 info] type=F [Gral lattice 1 info] type=F [Gral Niggli info] a b c al be ga v=F [Gral wilson] EE-1=0.0000000 [Gral bravais] 'number of Bravais cases' 'Selected Niggli Number 1-based' 'Selected Niggli Case 0-based'=F line 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11_0=2b0000007d1800004d4f4e4f434c494e494320492d6c6174746963650000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000727 line 11_1=0000000000000000fa8620ff4f808d3f057482126e49a83f5cf2dc22ff6c1d40f30016f9f5d324400ac0a7ac6a6e1d4015c77b24b08056402808d0c186815640fd7f9515ce7e564001893f66759d8140000000000000e03f0000000000000000000000000000e03f0000000000000000000000000000f03f0000000000000000000000000000e0bf0000000000000000000000000000e03f264d line 12_0=190000007d1800004d4f4e4f434c494e494320492d6c6174746963650000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000715 line 12_1=0000000000000000558a4c05b771993f057482126e49a83f5cf2dc22ff6c1d40f30016f9f5d324400ac0a7ac6a6e1d40ed4371db4f7f56402808d0c186815640068b57ea3181564001893f66759d8140000000000000e0bf0000000000000000000000000000e0bf0000000000000000000000000000f03f0000000000000000000000000000e03f0000000000000000000000000000e0bf25f4 line 13_0=2c0000004b140000545249434c494e494320502d6c6174746963650000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000006af line 13_1=000000000000000000000000000000004fb452cd6b8ca63f5cf2dc22ff6c1d400ac0a7ac6a6e1d4000b596c1f76f1d40fc0d99d93eff5d405aa78bf94efd5d402808d0c18681564001893f66759d7140000000000000e0bf0000000000000000000000000000e0bf000000000000e03f0000000000000000000000000000e0bf0000000000000000000000000000e0bf000000000000e03f26ff line 14_0=2c0000006c120000545249434c494e494320502d6c6174746963650000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000006ce line 14_1=000000000000000000000000000000002c0da474c734a83fd21d04f43a6e1d408f317769ad6e1d406f99d95d86701d40a7df70d0aefe5d4072d7f0f00dfe5d40d49763f6f0805640fe2465e7d99e7140000000000000e0bf0000000000000000000000000000e0bf000000000000e03f0000000000000000000000000000e0bf0000000000000000000000000000e0bf000000000000e03f28c2 [Gral possible space group] 'number of cases' 'Selected SG Number 1-based' 'Selected SG Case 0-based'=F line -1=" " number of unique cases=0 line 0=" Fd-3 1 1 203 C N N N N 27 104 0.050 6748" line 1=" Fd-3m 1 1 227 C N N N N 37 2284 0.050 6814" selected spacegroup=" Fd-3m 1 1 227 C N N N N 37 2284 0.050 6814" line 2=" An (be=135) 9 A N ? Y Y 2374 341 0.100 21" line 3=" I2/a (be=90) 15 C N N N N 17248 2451 0.055 30" line 4=" C2/c (be=135) 15 C N N N N 17248 2451 0.055 30" line 5=" A2/n (be=135) 15 C N N N N 17248 2451 0.055 31" [Transformation matrix] matrix=0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 [Gral transformation] cell laue latticetype=0 0 0 [Gral symmetry setting] cell symmetry="F" [Twin isolated and overlapped] component 0=0 0 component 1=0 0 component 2=0 0 component 3=0 0 component 4=0 0 component 5=0 0 component 6=0 0 component 7=0 0 [Twin ratios] component 0=0.0000 component 1=0.0000 component 2=0.0000 component 3=0.0000 component 4=0.0000 component 5=0.0000 component 6=0.0000 component 7=0.0000 [Twin HKLF4 rint table] number of rows=0 component -1=0 0 0.000000000 0.000000000 0.000000000 0.000000000 [Twin (v8) HKLF5 rint table overlapped] number of cases=F overlapcase -1=0 0 0 0 0 0 0 0 0 0 0 0.000000000 0.000000000 0.000000000 0.000000000 [Twin HKLF5 rint table overlapped] number of cases=F overlapcase -1=0 0 0 0 0 0 0 0.000000000 0.000000000 0.000000000 0.000000000 [Symmetry] point group=42 lattice type=5 [Overlapping] percentage=0.000000000 [Spherical absorption] used=0 Tmin Tmax=10000000.000000000 -0.010000000 [I\sigma table resolution] number of ranges=10 range 0= 1.729108182 5.989806406 725 108520.874343273 10.506114836 72.413793103 3.836290677 range 1= 1.258110944 1.729108182 725 84472.136332865 9.884012955 64.275862069 3.607053746 range 2= 1.087558708 1.258110944 725 59917.679752750 8.561659772 70.344827586 3.126006118 range 3= 0.963261973 1.087558708 725 53317.524954516 7.349390219 45.655172414 2.680649370 range 4= 0.879966263 0.963261973 725 9019.087949807 3.793005799 39.586206897 1.383817372 range 5= 0.810123995 0.879966263 725 57428.899921338 9.304027567 63.172413793 3.394936016 range 6= 0.773280664 0.810123995 725 18627.532405190 4.143181703 21.793103448 1.511608604 range 7= 0.719352475 0.773280664 725 15519.400339439 4.394112412 24.551724138 1.603573243 range 8= 0.687077908 0.719352475 725 15338.705095806 4.336208050 30.482758621 1.569830312 range 9= 0.654842044 0.687077908 729 13851.101347311 3.840097458 18.518518519 1.401374643 [Diffraction limit] is valid exp=0 diff limit=0.65 is valid=1 is beyond res=1 [Completeness and coverage] completeness coverage=100.000000000 0.000000000 iscompleteness=1 dmin=0.650 [Unique completeness and coverage] completeness coverage=0.000000000 0.000000000 iscompleteness=0 dmin=0.000 [Gral SG summary] number of lines=2 line 0="Fd-3" 203 0 27 104 0 0.050125 1 line 1="Fd-3m" 227 0 37 2284 0 0.050325 1 line 2=" An (be=135)" 9 0 2374 341 0 0.099716 0 line 3=" I2/a (be=90)" 15 0 17248 2451 0 0.055273 1 line 4=" C2/c (be=135)" 15 0 17248 2451 0 0.055273 1 line 5=" A2/n (be=135)" 15 0 17248 2451 0 0.055290 1 [Uncovered data] isuncovered=0 warning="" [Rint table resolution] number of ranges=5 range 0=inf 1.260647427 1526 1521 29 52.448275862 90183.255237045 67.296537075 0.049555349 0.005718319 range 1=1.225129084 0.937336530 1633 1627 28 58.107142857 49558.879128672 51.779111637 0.044905751 0.005478169 range 2=0.937336530 0.794968724 1591 1588 31 51.225806452 30269.208047042 44.524590395 0.059954447 0.007353830 range 3=0.792654400 0.707328607 1404 1400 30 46.666666667 19963.013021799 28.816692608 0.066131960 0.009116053 range 4=0.702467184 0.656162245 1100 1097 25 43.880000000 15893.348067600 31.228835141 0.087481203 0.010456336 range 5=0.660894431 0.621983576 581 579 26 22.269230769 4350.478528555 9.071669582 0.105412097 0.025297576 range 6=0.728684815 0.689266830 801 800 27 29.629629630 20058.199677312 25.657225062 0.065131915 0.011458307 range 7=0.683299040 0.656928256 665 663 26 25.500000000 15522.338516863 22.504956871 0.072000122 0.013171942 range 8=0.656928256 0.621979094 301 299 32 9.343750000 7680.964474399 6.817379669 0.081734353 0.031681666 range all=inf 0.656162245 7254 7233 143 50.580419580 43032.179040132 45.888165197 0.053579138 0.006381401 range inf-limit=inf 0.000000000 0 0 0 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 range 9=0.487617714 0.445337118 81 80 49 1.632653061 4545.026082116 1.408447321 0.442783619 0.909505489 range -1=0.000000000 0.000000000 0 0 0 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 range inf-difflimit=inf 0.000000000 0 0 0 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 [Results] after frames=762 [Incidence fit] number of parameters=0 binary pars_0=0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 min max=0.000000 0.000000 [NewRint table resolution] number of ranges=0 range -1=0.000000000 0.000000000 0 0 0 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000