HKLPLOT (CCP4: Supported Program)
- plots a precession photo from an HKL data file
is an X-windows based display program doing more or less the same thing).
This program plots a
simulated precession photograph
from an HKL file input,
and gives the percentage of the total reflections in the file
for each (sin (theta)/lambda)^2 range.
can also generate a reciprocal lattice pattern for any cell and spacegroup
(which can be useful for teaching).
The output is a
which can be plotted with
The various data control lines are identified by keywords, those
is a title for plot.
is symbol number. See Plot84 writeup. Default is a diamond shape.
One or two numbers. Resolution limits either as 4(sin(theta)/lambda)^2
or in Angstroems. If only one number is supplied, this is taken to be
the high resolution cut-off. Either order.
Input F's to be squared before plotting.
ZONE <zone1> [ <zone2> ... ]
zone definitions: e.g.
ZONE h0l h1l 0kl
<bins> is the number of bins for analysing completeness.
NSPGROUP <Number> | <Name>
Spacegroup Number or Name.
It is possible to over-ride the SpaceGroup in the MTZ file. Not recommended!
An <nsig>*SIGMA cutoff for reflections is applied. The default is no
PROJECTION <ih> <ik> <il> <projht> <prjlim>
Plot the layer of reciprocal space
<ih> <ik> <il>
and within reciprocal distance
from (0 0 0). This is useful for looking for lost 3 fold axes etc..
ZONE and PROJECTION cards are mutually exclusive.
all reflections plotted are listed to log file.
ANOM POS | NEG
POS(itive) or NEG(ative). Anomalous measurements for
F+(hkl) or F-(hkl) plotted.
BEWARE - this does NOT plot a true precession image with the
F(+) and F(-) in the correct part of reciprocal space. It will
plot two near identical sections which can be overlapped to look
By default, reflections are automatically scaled to the Largest F in
the file. But this automatic scaling can result in many very
If <scale> is given all symbols are scaled up or down by <scale>. All symbols
greater than maximum are scaled to the maximum size.
LABIN <program label>=<file label> ...
Change labels in the input file to match those expected by the
program, which needs F=... and SIGF=...
CELL <a> <b> <c> [ <alpha> <beta> <gamma> ]
Useful if you want to generate
the reciprocal lattice pattern (I use it for illustrating spacegroups).
RESO 10 5.00
ZONE 0kl h0l hk0 1kl h1l hk1
TITLE w89f c6 test
LABI F=FP SIGF=SIGFP
Eleanor Dodson November 1991