powderize: Integrate powder rings
The "powderize" program can integrate KCD images along powder rings, and
create a powder diffractogram.
Usage
The program is invoked by the command line:
powderize [options] <imagefilenames>
Different image file types are
recognized from their names.
For each input, the program will write a file with the same name as
the input file, but with the image file name extension replaced by
".pow" (for standard output format) or ".dat" (for xrs82 format). The
"standard" output file is an ASCII file with 3 words on each line,
representing triplets of
- 2-theta (in degrees)
- intensity (in arbitrary units).
- number of pixels contributing to the bin
The "xrs82" format is a fixed format: it contains the intensity as an
integer, and does not have the third column. This can be used to
transfer the powder data into the GUFI program.
Images are studied completely independent of each other by powderize:
joining adjacent-theta images can be done in the GUFI program.
Options
- detzero
-
Specify this option to tell the powderize program to try and optimize
the impact position of the primary beam, to minimize the line
broadening due to misalignment. This will only work when the primary
beam is close to the center of the image. If the detector is properly
aligned, the effect should be absolutely minimal.
- detrot
-
Tells the powderize program to optimize the impact position of the
primary beam plus two detector orientation angles. This is better done
using the makedetalign procedure.
- nodark
-
Tells the program not to subtract a dark image
(this can be useful if the image is the difference between an exposure
with and an exposure without sample).
- area
-
The "area" option tells the program to correct for pixel area,
hence intensities will be reported as something like "counts/sec/mm2"
I don't think this is a good idea. I have to think about it a bit more.
- sector=f
-
(e.g. sector=20) tells the program to use just those pixels that are
within f degrees of the horizontal. Properly used this may
reduce the line FWHM in case of a small capillary sample (but
increasing the noise).
- resolution=f
-
(e.g. resolution=0.1) tells the program to
use f degree 2-theta steps. The default is to use a step that is
approximately the angular size of the central pixel of the detector.
- resolutionfactor=f
-
(e.g. resolutionfactor=1.5) tells the program to use 2-theta steps
that are f times larger than the angular size of the central
pixel of the detector.
- format=s
-
Select between 'xrs82' and 'standard' file formats. The default output
file format is determined by the powderformat configuration
variable.
- gui
-
Ask for filenames (if none is specified) in "gui" mode.
