Commit 00a71b00 authored by trappn's avatar trappn
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parent 39b4e001
TITL c100119_1_1_0ma_a.res in P2(1)
REM Old TITL c100119_1_1_0ma in P2(1)
REM SHELXT solution in P2(1)
REM R1 0.138, Rweak 0.089, Alpha 0.006, Orientation as input
REM Flack x = -9.990 ( 9.990 ) from Parsons' quotients
REM Formula found by SHELXT: S
CELL 0.71073 10.7027 10.7575 10.8089 90 95.709 90
ZERR 6 0.003 0.003 0.003 0 0.008 0
LATT -1
SYMM -X,0.5+Y,-Z
SFAC S
UNIT 48
L.S. 8
PLAN 40
TEMP 23
list 4
fmap 2
acta
BASF 0.0057
TWIN -1 0 0 0 0 -1 0 -1 0 2
WGHT 0.1
FVAR 0.42343
REM <olex2.extras>
REM <HklSrc "%.\\c100119_1_1_0ma.hkl">
REM </olex2.extras>
S001 1 -0.35171 -0.32558 -0.61760 11.00000 0.00959 0.01136 0.01479 =
0.00210 0.00112 0.00155
S002 1 0.07130 -0.50041 -1.00880 11.00000 0.01500 0.00764 0.01303 =
0.00277 0.00263 0.00405
S003 1 0.21529 -0.77352 -1.03403 11.00000 0.01278 0.00789 0.01280 =
-0.00225 0.00209 0.00125
S004 1 0.04433 -0.47286 -0.82513 11.00000 0.01269 0.01205 0.01713 =
-0.00041 0.00592 0.00330
S005 1 0.04281 -0.68507 -1.04898 11.00000 0.01074 0.00896 0.01434 =
-0.00035 0.00058 0.00132
S006 1 -0.17429 -0.37044 -0.65936 11.00000 0.01187 0.02120 0.01311 =
0.00445 0.00756 0.00359
S007 1 -0.57189 -0.50371 0.02098 11.00000 0.01616 0.01138 0.00866 =
0.00194 0.00314 0.00027
S008 1 -0.86011 -0.24977 -0.23137 11.00000 0.01467 0.01303 0.01693 =
0.00173 -0.00378 0.00175
S009 1 0.23797 -0.85966 -0.86303 11.00000 0.02025 0.00662 0.01680 =
0.00336 -0.00025 -0.00028
S00A 1 -0.73040 -0.52929 -0.25906 11.00000 0.01500 0.01507 0.01052 =
-0.00199 0.00462 -0.00039
S00B 1 -0.70902 -0.22580 0.05250 11.00000 0.01236 0.01249 0.01065 =
-0.00144 0.00065 0.00139
S00C 1 -0.04391 -0.57807 -0.45582 11.00000 0.01864 0.01665 0.02149 =
0.00367 0.00224 0.00820
S00D 1 -0.05817 -0.39063 -0.49826 11.00000 0.01125 0.01685 0.02360 =
0.00430 -0.00202 0.00043
S00E 1 -0.45528 -0.54714 -0.44455 11.00000 0.01695 0.01783 0.02060 =
0.00308 0.00785 -0.00125
S00F 1 -0.16278 -0.61472 -0.32339 11.00000 0.02615 0.01708 0.01157 =
0.00074 -0.00266 0.00099
S00G 1 -0.55307 -0.53011 -0.16419 11.00000 0.01448 0.01679 0.01391 =
-0.00223 0.00621 0.00514
S00H 1 0.24082 -0.64489 -0.64131 11.00000 0.02317 0.01409 0.00939 =
0.00455 0.00138 -0.00141
S00I 1 0.21814 -0.47086 -0.72356 11.00000 0.01735 0.01080 0.01288 =
-0.00352 0.00192 0.00015
S00J 1 -0.53941 -0.31765 0.06081 11.00000 0.01067 0.01421 0.01134 =
0.00078 -0.00024 -0.00005
S00K 1 -0.45378 -0.48690 -0.62411 11.00000 0.01643 0.01889 0.01595 =
0.00364 -0.00303 -0.00863
S00L 1 -0.73919 -0.14084 -0.11811 11.00000 0.02071 0.01008 0.01595 =
0.00484 -0.00378 -0.00106
S00M 1 -0.75372 -0.35625 -0.33869 11.00000 0.02021 0.02242 0.00653 =
0.00521 0.00137 -0.00179
S00N 1 -0.32638 -0.68730 -0.41118 11.00000 0.02545 0.01028 0.01488 =
-0.00237 0.00016 -0.00419
S00O 1 0.35404 -0.74898 -0.74582 11.00000 0.01763 0.01277 0.01761 =
0.00148 -0.00140 0.00349
HKLF 4
END
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