Commit 365bdff0 authored by trappn's avatar trappn
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parent 09fc8511
TITLE CrysAlis p4p export at Wed Dec 05 14:58:06 2018
CHEM C8H12BCuF4N4
REM BRAVAISTYPE P
CELL 23.731358 8.284339 20.190298 90.0000 90.0000 90.0000 3969.3847
CELLSD 0.000382 0.000146 0.000214 0.0000 0.0000 0.0000 0.1038
SOURCE CU 1.54184 1.54056 1.54439
FACE -1.89627 5.00877 6.00555 0.08896
FACE 3.00874 -0.00448 -13.00112 0.02880
FACE 0.89404 -5.00695 -4.00616 0.07941
FACE -3.00874 0.00448 13.00112 0.03151
FACE -15.02419 0.03173 -2.02268 0.00990
FACE 15.02419 -0.03173 2.02268 0.00990
FACE 2.11208 5.00122 0.00884 0.09322
FACE -10.10412 -3.98364 1.98154 0.06685
FACE 14.06751 1.97323 -2.97851 0.03931
FACE -5.90200 5.01757 2.99846 0.08254
FACE -14.06605 -1.97253 -2.02360 0.02932
FACE -14.02487 0.02852 5.98215 0.01802
REM BINNINGDURINGDATAREDUCTION 1 1
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