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Man page of XGEN
XGEN
Section: XGEN Commands (1)
Updated: April 2005
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NAME
XGEN  stats
SYNOPSIS
stats
[on] [bval] [rescut]
DESCRIPTION
"stats" computes a variety of statistical indicia of the quality of a
merged data set. It obtains Rfactors 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
Friedelseparated reflections, whereas the number missing will be given in
terms of the Friedelmerged reflections. Thus suppose in a particular
resolution range there are 8000 possible Friedelseparated reflections and
4200 possible Friedelmerged reflections. Suppose further that the user has
measured 7800 of the 8000 Friedelseparated reflections, but he has measured
4150 of the 4200 possible Friedelmerged 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 Bijvoetrelated
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
missingreflection 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 highresolution 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 3125675881.
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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