print user interface
scalepack log file 'RTS2S3S4S5S7_07302023_trimmedauto07.log'
cholesky
@reject
resolution 100.00 0.70
number of zones 40
estimated error
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
0.06 0.06 0.06 0.06 0.06 
error scale factor 0.8
default scale 1.0
rejection probability 0.0001
reference film 7
scale restrain 0.01
B restrain 0.02
Absorption restrain 0.01
Absorption zo6
lorentz
automatic corrections
output legacy file 'scale_RTS2S3S4S5S7_07302023_trimmedauto07/legacy.sca'
output legacy_ano file 'scale_RTS2S3S4S5S7_07302023_trimmedauto07/legacy_ano.sca'
output diff_map_ano file 'scale_RTS2S3S4S5S7_07302023_trimmedauto07/diff_map_ano.sca'
output no_aniso file 'scale_RTS2S3S4S5S7_07302023_trimmedauto07/no_aniso.sca'
output no_aniso_ano file 'scale_RTS2S3S4S5S7_07302023_trimmedauto07/no_aniso_ano.sca'
output rad file 'scale_RTS2S3S4S5S7_07302023_trimmedauto07/diff_map_rad.sca'
write rejection file 0.5
print cc1/2
space group P21
output file 'RTS2S3S4S5S7_07302023_trimmedauto07.sca'
ignore overloads
intensity bins
add partials 1 to 900 901 to 1800 1801 to 2700
2701 to 3600 3601 to 3677
fit crystal cell 1 to 900 901 to 1800 1801 to 2700
2701 to 3600 3601 to 3677
fit crystal mosaicity 1 to 25 26 to 50 51 to 75
76 to 100 101 to 125 126 to 150
151 to 175 176 to 200 201 to 225
226 to 250 251 to 275 276 to 300
301 to 325 326 to 350 351 to 375
376 to 400 401 to 425 426 to 450
451 to 475 476 to 500 501 to 525
526 to 550 551 to 575 576 to 600
601 to 625 626 to 650 651 to 675
676 to 700 701 to 725 726 to 750
751 to 775 776 to 800 801 to 825
826 to 850 851 to 875 876 to 900
901 to 925 926 to 950 951 to 975
976 to 1000 1001 to 1025 1026 to 1050
1051 to 1075 1076 to 1100 1101 to 1125
1126 to 1150 1151 to 1175 1176 to 1200
1201 to 1225 1226 to 1250 1251 to 1275
1276 to 1300 1301 to 1325 1326 to 1350
1351 to 1375 1376 to 1400 1401 to 1425
1426 to 1450 1451 to 1475 1476 to 1500
1501 to 1525 1526 to 1550 1551 to 1575
1576 to 1600 1601 to 1625 1626 to 1650
1651 to 1675 1676 to 1700 1701 to 1725
1726 to 1750 1751 to 1775 1776 to 1800
1801 to 1825 1826 to 1850 1851 to 1875
1876 to 1900 1901 to 1925 1926 to 1950
1951 to 1975 1976 to 2000 2001 to 2025
2026 to 2050 2051 to 2075 2076 to 2100
2101 to 2125 2126 to 2150 2151 to 2175
2176 to 2200 2201 to 2225 2226 to 2250
2251 to 2275 2276 to 2300 2301 to 2325
2326 to 2350 2351 to 2375 2376 to 2400
2401 to 2425 2426 to 2450 2451 to 2475
2476 to 2500 2501 to 2525 2526 to 2550
2551 to 2575 2576 to 2600 2601 to 2625
2626 to 2650 2651 to 2675 2676 to 2700
2701 to 2725 2726 to 2750 2751 to 2775
2776 to 2800 2801 to 2825 2826 to 2850
2851 to 2875 2876 to 2900 2901 to 2925
2926 to 2950 2951 to 2975 2976 to 3000
3001 to 3025 3026 to 3050 3051 to 3075
3076 to 3100 3101 to 3125 3126 to 3150
3151 to 3175 3176 to 3200 3201 to 3225
3226 to 3250 3251 to 3275 3276 to 3300
3301 to 3325 3326 to 3350 3351 to 3375
3376 to 3400 3401 to 3425 3426 to 3450
3451 to 3475 3476 to 3500 3501 to 3525
3526 to 3550 3551 to 3575 3576 to 3600
3601 to 3625 3626 to 3650 3651 to 3677
fit batch rotx 1 to 900 901 to 1800 1801 to 2700
2701 to 3600 3601 to 3677
fit batch roty 1 to 900 901 to 1800 1801 to 2700
2701 to 3600 3601 to 3677
postrefine 10
write rejection file
format denzo_ip
initial scale 1941 0.0 1942 0.0 1943 0.0 1944 0.0 1945
0.0 1946 0.0 1947 0.0 1948 0.0 1949 0.0
1950 0.0 1951 0.0 1952 0.0 1953 0.0 1954
0.0 1955 0.0 1956 0.0 1957 0.0 1958 0.0
1959 0.0 1960 0.0 3670 0.0 3671 0.0 3672
0.0 3673 0.0 3674 0.0 3675 0.0 3676 0.0
3677 0.0
sector 1 to 900
FILE 1 'RTs2_#####.x'
sector 1 to 900
FILE 901 'RTs3_#####.x'
sector 1 to 900
FILE 1801 'RTs5_#####.x'
sector 1 to 900
FILE 2701 'RTs7_#####.x'
sector 1 to 77
FILE 3601 'RTs4_#####.x'
radiation dose B b factor
anisotropy removal 3. 2.
;
