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authorAndrew Aquila <andrew.aquila@cfel.de>2011-08-03 15:28:11 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:35 +0100
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+.\"
+.\" powder_plot man page
+.\"
+.\" (c) 2011 Andrew Aquila <andrew.aquila@cfel.de>
+.\" (c) 2009-2011 Thomas White <taw@physics.org>
+.\"
+.\" Part of CrystFEL - crystallography with a FEL
+.\"
+
+.TH POWDER\_PLOT 1
+.SH NAME
+powder\_plot \- 1D powder pattern generating program
+.SH SYNOPSIS
+.PP
+.B powder\_plot
+-i mypatterns.stream -o mydata.dat [options]
+
+.SH DESCRIPTION
+
+This program takes as input the data stream from "indexamajig" or an hkl file,
+or an h5 file. It sums the many individual intensities, Bragg peaks or pixel
+location in the h5 file, together to form a 1D powder histogram which is
+useful for crystallography.
+
+The output of powder_plot consists of a 2 line header followed by a tab
+delimitated list of 6 values:
+
+q of the histogram bin
+the total number of peaks (N)
+the total intensity in the N peaks
+the mean intensity of the N peaks
+the 1 sigma (standard deviation) of the distribution
+the 1 sigma (standard deviation) of the mean of the data
+
+Please note that the sigma of the mean is not the sigma of the distribution,
+however they are related by the sqrt(N).
+
+Typical usage is of the form:
+
+$ powder_plot -i mypatterns.stream -o mydata.dat [options]
+
+The options include added geometry, beam, pdb files or symmetry elements. The
+program will prompt you as needed depending on the file type and data types
+selected.
+
+.SH HISTOGRAM OPTIONS
+
+You can choose to set the min and maximum q value [units are inverse meters]
+with:
+--q_min=<number>
+and
+--q_max=<number>
+The default value is to use the entire detector setup in the .geom file
+(loaded wiht the -g flag).
+
+You can also adjust the number of histogram bins wiht:
+--bins=<intiger>
+
+Scaling can be set to produce linearly, quadratically or cubicly spaced q
+values using:
+ --spacing=<type> possible types are:
+ linear : linear (default)
+ q2 : even spacing in Wilson plots (quadratic)
+ volume : constant volume (cubic)
+
+.SH DATA TYPE OPTIONS
+
+Powder_plot can accept .stream, .hkl, or .h5 files as input parameters. For
+the stream many choices exist for assembling the powder these can be accesed
+using the --data=<type> flag. Possible flags are:
+ reflection : uses peak positons from indexed reflection
+ hkl : uses the hkl list from indexed reflections (requires pdb
+ file)
+ d : uses the 1/d list from indexed reflections (default)
+ peaks : uses all peaks found from peak search
+ h5 : all points in h5, excluding bad regions
+
+Reflection differs from hkl or d as each crystal may index with a sligtly
+different unit cell size. The peaks option uses the peak lists and includes
+and peaks (regardless if they indexed).
+
+A few other implemented flags to give better control are:
+--no-sat-corr Don't correct values of saturated peaks using a table included
+ in the HDF5 file.
+--only-indexed Use with -data=peaks or h5 if you want to use the peak list of
+ only indexed patterns. (Useful for seeing changes from paterns
+ that do not index.)
+--no-q-scaling Use with .hkl files if you want to not scale the powder by 1/q^2
+--ring-corr Use if you want to scale the powder plot to correct for the
+ fractional area sampled of the powder ring. (Useful for
+ detectors with gaps.)
+--use-redundancy Use with .hkl files if you want to use the number of
+ measurements and not the number of symetrical equivelent
+ reflections as the number of time a reflection occurs
+ in the powder
+
+.SH NOTE ON SUMMING H5 FILES
+
+Powder_plot does not sum a stack of h5 files from a list of h5 files. This
+task is already accomplished with sum_stack. The output h5 file of sum_stack
+can then be used as the input to powder_plot. This will produce the goal of
+summing a list of h5 files into a powder. Also powder_plot , can sum h5 files
+if they are located in a .stream file. This is useful with the --only-indexed,
+to compare the powder from all the data to the power from only indexed patterns.
+
+