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Man page of X-GEN
X-GEN
Section: X-GEN Commands (1)
Updated: April 2005
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NAME
X-GEN - stats
SYNOPSIS
stats
[-on] [-bval] [rescut]
DESCRIPTION
"stats" computes a variety of statistical indicia of the quality of a
merged data set. It obtains R-factors broken down by intensity range and
resolution range, and it determines how many unique reflections are missing
from the data and and where the missing reflections fall in sin(theta)/lambda.
If the -n flag is set (see below), the counts of possible and merged
reflections in each sin(theta)/lambda range will be given in terms of the
Friedel-separated reflections, whereas the number missing will be given in
terms of the Friedel-merged reflections. Thus suppose in a particular
resolution range there are 8000 possible Friedel-separated reflections and
4200 possible Friedel-merged reflections. Suppose further that the user has
measured 7800 of the 8000 Friedel-separated reflections, but he has measured
4150 of the 4200 possible Friedel-merged reflections. Then the relevant row
of the completeness / redundancy table will indicate 7800 collected out of
8000, but the number missing will be 50.
- -n
-
If this flag is on, "stats" will treat Bijvoet-related
reflections as independent in counting present reflections
and missing reflections, and in determining R factors.
- -o
-
Ordinarily "stats" writes out a list of missing reflections,
i.e. reflections for which no measurement appears in the input
MULTIREF. Turning this Boolean on specifies that no such
missing-reflection list is to be output.
- -b<val>
-
Specifies the number of resolution bins into which the
-
data will be divided for calculations of completeness and
redundancy and for the Rmerge calculations. The default value is
10 for datasets more than 27000 observations; it ranges between 4
and 9 for smaller datasets.
- <rescut>
-
specifies the high-resolution cutoff in Angstroms, above
-
which reflections will not be output. Default: no restriction.
REPORTING BUGS
Report bugs to Andy Howard at howard@iit.edu or 312-567-5881.
COPYRIGHT
Copyright © 2002, Illinois Institute of Technology.
See the file 'LICENSE' for information on usage and redistribution
of this file, and for a DISCLAIMER OF ALL WARRANTIES
Index
- NAME
-
- SYNOPSIS
-
- DESCRIPTION
-
- REPORTING BUGS
-
- COPYRIGHT
-
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