<title> is a title for plot. SYMBOL <num> <num> is symbol number. See Plot84 writeup. Default is a diamond shape. RESOLUTION [ <dmin> ] <dmax> 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. SQUARE Input F's to be squared before plotting. ZONE <zone1> [ <zone2> ... ] zone definitions: e.g. ZONE h0l h1l 0kl BINS <bins> <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! SIGMA <nsig> An <nsig>*SIGMA cutoff for reflections is applied. The default is no cut-off applied. PROJECTION <ih> <ik> <il> <projht> <prjlim> Plot the layer of reciprocal space perpendicular to <ih> <ik> <il> and within reciprocal distance <projht> +/-<prjlim> from (0 0 0). This is useful for looking for lost 3 fold axes etc.. ZONE and PROJECTION cards are mutually exclusive. LIST 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 for differences. SCALE <scale> By default, reflections are automatically scaled to the Largest F in the file. But this automatic scaling can result in many very insignificant spots... 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). END last card. EXAMPLE hklplot hklin {$SCRATCH}mary2.mtz << END-mtzprec RESO 10 5.00 BINS 10 ZONE 0kl h0l hk0 1kl h1l hk1 TITLE w89f c6 test NSPGRP 16 SCALE 0.5 SYMB 15 LABI F=FP SIGF=SIGFP END END-mtzprec AUTHOR Eleanor Dodson November 1991 SEE ALSO pltdev, xplot84driver, hklview (1)

HKLPLOT (CCP4: Supported Program) NAME hklplot - plots a precession photo from an HKL data file SYNOPSIS hklplot hklin foo[.mtz] plot foo[.plt] [Keyworded input] SEE ALSO Consider using hklview rather than hklplot ( hklview is an X-windows based display program doing more or less the same thing). DESCRIPTION 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. hklplot can also generate a reciprocal lattice pattern for any cell and spacegroup (which can be useful for teaching). The output is a plot84 metafile, which can be plotted with xplot84driver or pltdev. KEYWORDED INPUT The various data control lines are identified by keywords, those available being: ANOM, BINS, CELL, END, LABIN, LIST, NSPGROUP, PROJECTION, RESOLUTION, SCALE, SIGMA, SQUARE, SYMBOL, TITLE, ZONE TITLE <title> is a title for plot. SYMBOL <num> <num> is symbol number. See Plot84 writeup. Default is a diamond shape. RESOLUTION [ <dmin> ] <dmax> 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. SQUARE Input F's to be squared before plotting. ZONE <zone1> [ <zone2> ... ] zone definitions: e.g. ZONE h0l h1l 0kl BINS <bins> <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! SIGMA <nsig> An <nsig>*SIGMA cutoff for reflections is applied. The default is no cut-off applied. PROJECTION <ih> <ik> <il> <projht> <prjlim> Plot the layer of reciprocal space perpendicular to <ih> <ik> <il> and within reciprocal distance <projht> +/-<prjlim> from (0 0 0). This is useful for looking for lost 3 fold axes etc.. ZONE and PROJECTION cards are mutually exclusive. LIST 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 for differences. SCALE <scale> By default, reflections are automatically scaled to the Largest F in the file. But this automatic scaling can result in many very insignificant spots... 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). END last card. EXAMPLE hklplot hklin {$SCRATCH}mary2.mtz << END-mtzprec RESO 10 5.00 BINS 10 ZONE 0kl h0l hk0 1kl h1l hk1 TITLE w89f c6 test NSPGRP 16 SCALE 0.5 SYMB 15 LABI F=FP SIGF=SIGFP END END-mtzprec AUTHOR Eleanor Dodson November 1991 SEE ALSO pltdev, xplot84driver, hklview (1)