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FIXME: what are these lines in bash syntax? | FIXME: what are these lines in bash syntax? | ||
---- | |||
For the not-so-Unix-proficient-ones: ''sortlattices'' runs on IDXREF.LP the following commands: | For the not-so-Unix-proficient-ones: ''sortlattices'' runs on IDXREF.LP the following commands: | ||
| Line 10: | Line 12: | ||
# sorts these lines on the third column, numerically, ascending | # sorts these lines on the third column, numerically, ascending | ||
# and prints the first 12 of these to the terminal | # and prints the first 12 of these to the terminal | ||
Example: | |||
dikay@turn29:-data/temp% sortlattices | |||
44 aP 0.0 145.8 164.1 245.4 90.1 90.0 90.1 -1 0 0 0 0 1 0 0 0 0 -1 0 | |||
31 aP 0.3 145.8 164.1 245.4 89.9 90.0 89.9 1 0 0 0 0 1 0 0 0 0 1 0 | |||
35 mP 0.9 164.1 145.8 245.4 90.0 90.1 90.1 0 -1 0 0 1 0 0 0 0 0 1 0 | |||
34 mP 2.2 145.8 245.4 164.1 90.1 90.1 90.0 1 0 0 0 0 0 1 0 0 -1 0 0 | |||
33 mP 2.5 145.8 164.1 245.4 90.1 90.0 90.1 -1 0 0 0 0 1 0 0 0 0 -1 0 | |||
32 oP 2.8 145.8 164.1 245.4 90.1 90.0 90.1 -1 0 0 0 0 1 0 0 0 0 -1 0 | |||
14 mC 135.2 219.4 219.6 245.4 90.1 90.1 83.2 -1 1 0 0 1 1 0 0 0 0 -1 0 | |||
10 mC 135.8 219.4 219.6 245.4 89.9 90.1 96.8 1 -1 0 0 1 1 0 0 0 0 1 0 | |||
13 oC 135.8 219.4 219.6 245.4 90.1 90.1 83.2 -1 1 0 0 1 1 0 0 0 0 -1 0 | |||
11 tP 136.4 145.8 164.1 245.4 90.1 90.0 90.1 -1 0 0 0 0 1 0 0 0 0 -1 0 | |||
39 mC 249.7 359.0 145.8 245.4 90.0 90.1 66.1 1 -2 0 0 1 0 0 0 0 0 1 0 | |||
37 mC 250.3 511.9 145.8 164.1 90.1 90.1 73.5 -1 0 -2 0 -1 0 0 0 0 1 0 0 | |||
(read [[Space_group_determination|Space group determination]] to find out what to do with these lines) | |||
---- | |||
''scalefactors'' finds those lines in INTEGRATE.LP which match a certain pattern of blanks and non-blanks. These are just the lines printed during the INTEGRATE step for each frame. It is very useful (e.g. to find shutter problems, or to "see" the crystal die from radiation damage) to run | ''scalefactors'' finds those lines in INTEGRATE.LP which match a certain pattern of blanks and non-blanks. These are just the lines printed during the INTEGRATE step for each frame. It is very useful (e.g. to find shutter problems, or to "see" the crystal die from radiation damage) to run | ||
| Line 30: | Line 50: | ||
If you simply want the plots and glue them into your lab book, just run | If you simply want the plots and glue them into your lab book, just run | ||
gnuplot<<EOF | gnuplot<<EOF | ||
set term png | set term png | ||
| Line 41: | Line 60: | ||
plot "frames.scales" using 1:10 | plot "frames.scales" using 1:10 | ||
EOF | EOF | ||
to get | |||
[[Image:scale.png]] | |||
[[Image:divergence.png]] | |||
[[Image:mosaicity.png]] | |||