format ccd adsc unsupported-q4 [Brandeis B4 detector]
error positional 0.04 [Approx. 1/4 of a pixel.]
monochromator 0.9 [Approx. beam polarization (in hor.
plane).]
profile fitting radius 10.0 [Should be big enough to include quite
a]
[few reflections in a circle of this
radius
for]
[the learning of profiles. May be
bigger for]
[small unit cells or smaller for
big ones. ]
weak level 5.0 [I/sigma for refinement.]
write predictions
print zones
spot elliptical 0.5 0.5 0.0 [O.K. defaults for 0.2mm collimator.]
background elliptical 0.55 0.55 0.0
box print 2.0 2.0 [19 pixels square]
overlap spot
peak search file peaks.file
use beam [Direct beam not available
on MAR.]
[Set up the data collection for this sweep of data.]
TITLE 'This title should be between apostrophes'
sector 1
oscillation start 0.000 range 1
raw data file 'image/lambda1_1_###.img'
film output file 'auto1_1_###.x'
cassette rotx 0.0 roty 0.00 rotz 0 2 theta 0.00
x beam 95.5 y beam 99
film rotation 270.000
crossfire y 0 x 0 xy 0
[radial offset -0.1000 angular offset -0.2000] [Should
be pretty
constant]
overload 42000
[ >> Check these <<]
distance 200
wavelength 0.979
[Some parameters for this particular experiment.]
[Fix them up with refined ones from the first few frames.]
[longest vector 300.] [Set if unit cell is big.]
[use partials position] [Only for really big cells.]
[lattice P monoclinic]
space group p222 [Put in if you know it.]
[For Unit Cell, Get the correct ones from the SCALEPACK Postrefinement.]
[unit cell 100.00 100.00 100.00 90.00 90.00 90.00]
[crystal rotx 0.00 roty 0.00 rotz 0.00]
mosaicity 0.5
resolution limits 30.000 3.0
[Do the indexing!]
go
weak level 3