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rotindex: Find unit cell using Dirax from rotation images

The "rotindex" can calculate a unit cell from peaks found in a series of rotation images.

Usage

The program is invoked by the command line:

rotindex [options] <imagefilenames> [rmatfilename]

Different image file types are recognized from their names. They should represent (partly) successive rotation images.

The "rmatfilename" specifies the name of the output .rmat file. If none is specified, "rotindex.rmat" will be created.

Options

gui and nogui: Instructs the program to show its progress in a graphical user interface or to be completely controlled from the command line. "nogui" is the default.
refine and norefine: Instructs the program not refine or not to refine the detector position after the cell is first determined. The default is determined by the cellrefinedetector configuration parameter.
write=x.rmat: Write the output file 'x.rmat' instead of 'rotindex.rmat'.

Procedure

The program will write "c" vectors corresponding to peaks located in each pair of adjacent images to a file "cell.drx". It will then run the "dirax" program to find the cell, and use the dirax "ccd cell" command to write the resulting cell to a .rmat file, which can be used by the programs in the collect suite.

A "set2"-like procedure is used to merge C vectors for Friedel paired reflections if there are pairs available, increasing the accuracy of the results.

This program needs distortion correction (see programs makedistor and makedetalign) for proper functioning.

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