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XGEN
Section: XGEN Commands (1)
Updated: April 2005
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NAME
XGEN  mukb
SYNOPSIS
mukb
[diop] [rval] [sval] [lowrescut] [highrescut]
DESCRIPTION
"mukb" reads one or more MULISTS, i.e. the output from one
or more runs of "makemu", and determines a scale factor, a
relative DebyeWaller factor, and various Rfactors between
the first MULIST and any of the others. The user may output
various merged ASCII files out of this program, including some
suitable for input into various Fourier analysis packages.
Invoking "mukb" with exactly one MULIST as input causes it to
compare the Friedel mates within that one MULIST rather than
comparing data from different MULISTs. This functionality is
now bound up in "makemu" and "scalem", but it is available in
this application on a standalone basis.
 d

This specifies that "mukb" is to write out an

list of the scaled reflections in the "ASCII DORGBIN"
format developed in England in the early1970's. This
format can be converted to binary and used in Tom
Terwilliger's HEAVY and HASSP packages, among others.
 i

This specifies that "mukb" is to calculate its Rfactors

having forced the k and B scaling parameters to 1 and 0,
respectively. Thus it is equivalent to calculating Rfactors
between datasets that have not been scaled relative to one
another at all.
 o

This specifies that *mukb* is to write out an output MULIST

in which the usual MULIST columns are occupied by the scaled F's
or I's for the derivative. Thus if the scale factor between native
and derivative is 1.2 and the relative B is 4, then the output
relative MULIST will the F's of the derivative data multiplied
by 1.2 * exp(4. * s * s) where s = sin(theta) / lambda.
 p

This specifies that "mukb" is to write out an ASCII list of

the scaled reflections in a very simple format:
h k l DF 0. where

DF = (Fder  Fnat) * (Fder  Fnat).

The output will be written to a file with environment
variable PATTERSON.

Switches: r, s
 r<val>

Declare the spacegroup to be <val>, using the
International Tables numbering system.
 s<val>

Ordinarily "mukb" computes unweighted and weighted R

factors between the native and each derivative for all data and
for data for which each F is greater than 4 sigma. Specifying a
value here changes the criterion for inclusion in the second set
of R factors from 4*sigma to <val>*sigma, where <val> is the
number you specify here. Default: 4.
 <lowrescut>

This specifies the lowresolution cutoff in Angstroms,

below which reflections will not be considered in statistics or
output. Default value: nonethis parameter must be supplied.

<highrescut> This specifies the highresolution cutoff in

Angstroms, above which reflections will not be considered in
statistics or output. Default value: nonethis parameter
_must_ be supplied.
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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Time: 02:08:09 GMT, October 03, 2005