RESOLUTION 35.0 3.2
unit cell 124.10 124.10 120.20 90.00 90.00 120.00
SPACE GROUP P321

SCALE ANOMALOUS

SIGMA CUTOFF -3.0

NUMBER OF ZONES 8

ESTIMATED ERROR
0.105 0.110 0.115 0.115 0.12 0.12 0.13 0.14

IGNORE OVERLOADS

[ IGNORE quadrilateral 145.7 314.3 147.2 185.4 165.9 185.4 164.4 314.3 ]

REJECTION PROBABILITY 0.0001
WRITE REJECTION FILE 0.90

ERROR SCALE FACTOR 2.000
ADD PARTIALS 1 to 140

B RESTRAIN 0.30
[ SCALE RESTRAIN 0.50 ]

POSTREFINE 10
FIT CRYSTAL A* 1 to 140
FIT CRYSTAL C* 1 to 140
FIT BATCH ROTX 1 to 140
FIT BATCH ROTY 1 to 140
FIT CRYSTAL MOSAICITY 1 to 20 , 21 to 40 , 41 to 60 , 61 to 80 , 81 to 100 , 101 to 120 , 121 to 140

END FIT

@reject
OUTPUT FILE 'W12_1_p.hkl'
REFERENCE FILM 10

FORMAT DENZO_IP

SECTOR 1 to 140
FILE 1 'x/W12_1_1_###.x'