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HKLPLOT (CCP4: Supported Program)NAMEhklplot - plots a precession photo from an HKL data fileSYNOPSIShklplot hklin foo[.mtz] plot foo[.plt][Keyworded input] SEE ALSOConsider using hklview rather than hklplot ( hklview is an X-windows based display program doing more or less the same thing).DESCRIPTIONThis 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 INPUTThe 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><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.SQUAREInput 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. LISTall reflections plotted are listed to log file.ANOM POS | NEGPOS(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).ENDlast card.EXAMPLEhklplot 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 AUTHOREleanor Dodson November 1991SEE ALSOpltdev, xplot84driver, hklview (1) |