Previous: saintrename: Rename .sfrm files to the SAINT naming scheme
Next: rmatrix: Display unit cell from a .rmat file

xmatrix: Display unit cell from a denzo .x file.

"xmatrix" can read a denzo ".x" file, extract the unit cell orientation matrix, and display it in a form of a reciprocal axis matrix (comparable to the matrix used in the CAD4 software) and unit cell parameters.

Usage

xmatrix [filenames and options]

Without any arguments, the "xmatrix" program will look for the most recent .x file in the current directory, and display the reciprocal axis matrix extracted from it, and the unit cell associated with this. The unit cell will be standardized as well.

A specific ".x" file can be given on the command line to get the information from that ".x" file instead of the most recent one.

For the extraction of the orientation, the corresponding ".kcd" file should be present in the same directory as the ".x" file. If it is present in another directory, or has been given another name, it can be explicitly given as an argument.

The reciprocal axis matrix of the reduced cell, and the reduced to conventional transformation matrix will be written to a file if any filename ending in ".rmat" is specified as argument to the "xmatrix" program. (See the format description to see how this file looks).

Options include:

nostandardize: Do not standardize the unit cell, use the original setting.
notransformtrigonal: Keep trigonal cells in primitive setting, do not transform to hexagonal. The resulting unit cell can be used for symmetry relations (it is much easier to specify the asymmetric unit in the primitive setting).
axcrit=##: Use the given axis criterium for the cell standardization. By default it will use the same value as has been used before in any cell reduction, or if none has been specified ever, 0.2 degrees (or the value specified in the configuration file). If this criterium is increased, higher symmetry will be generated more easily.
write=rmatfilename: Write the resulting RMAT into the named file. Useful if the filename does not end in .rmat
sign: Check the handedness of the data set in the .x file.

Example

xmatrix i01f001.x i.rmat

Takes the matrix from "i01f001.x", and stores it in "i.rmat" including the calculated standardization.

Previous: saintrename: Rename .sfrm files to the SAINT naming scheme
Next: rmatrix: Display unit cell from a .rmat file