AutoStationA.txt

[autoindexing example file]


title 'test'

distance 100.00 [ <== better get this right! ]
x beam 173.728
y beam 173.049
vertical axis 0 0 1
spindle axis 0 1 0

format mar345 345mm 100 marpck

wavelength 0.80027 [ <== better get this right! ]
air absorption length 500
monochromator 0.95
detector rotx 0.0 roty 0.0 rotz 0.0
film rotation 90.000
radial offset 0.00
angular offset 0.00

space group P1 [ Use P1 if unknown ]
mosaicity 0.1 [ an estimate at this point ]
weak level 5.0
box 2.4 2.4
spot elliptical 0.5 0.5 0.0
background elliptical 0.7 0.7 0.0
overlap spot

raw data file 'test_###.mar2300' [ <== edit ]
film output file 'test_###.x' [ <== edit ]

oscillation start 0.0 range 2.0 [ phi width per image ]
sector 1 to 1 [ number of image, see ### in name template ]


[longest vector 30.0] [ longest expected cell axis ]

resolution limits 15 0.8

peak search file peaks.file
write predictions


fit x beam y beam
go go go

fit crystal rotx roty rotz
go go go


[ now you can try "fit all" if things are well behaved... ]