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DirAx

Introduction
Input file for DirAx
Help
Acknowledgements
Final notes

Introduction

DirAx is a program for indexing of single crystal data as explained in Duisenberg, A.J.M.(1992). J. Appl. Cryst. 25, 92-96 (IUCR journal webpage) .
A reprint (Copyright © International Union of Crystallography J. Appl. Cryst. (1992), 25, 92-96) can be found here (PDF file, 0.6 Mb).

Differences in the actual versions with respect to this article can be found in the remarks page. On a separate page you can find instructions for obtaining and installing DirAx.

In most cases DirAx will run automatically with the default parameters. To unravel obstinate problems some familiarity with the method is desirable. We therefore recommend to practice with the example .drx files first (see examples. If problems cannot be solved properly (even after you have read the manual) there may somezing be wronk with your copy of DirAx, or you are doing something we did not anticipate.

Input file for DirAx

First a line with the wavelength in Å.
Then you provide up to 1000 lines with 3 bisecting angles theta, phi and chi (°) optionally followed by the intensity. Alternatively you can provide 1000 lines with C-vectors (Å), optionally followed by the intensity.

Notes

Example of a drx input file (this is example 1):
 1.54056
   16.05   118.42     30.40      471.2
   14.06  -177.41     33.99     1819.7
   15.58  -101.99     24.06    14093.5
   16.05   116.80     25.73     6468.4
   17.30   147.79     21.32     3638.7
   10.37   140.39     55.14     2599.9
   16.38  -173.91     54.41     1072.7
   22.32    11.97     50.49      819.5
   15.60  -142.60     15.09     3904.5
    9.37   -78.08      9.79      442.6
   17.27    58.49     58.52     1432.2
   21.09   140.40     55.15     2151.4
   24.20  -157.93     49.38    11920.9
   23.94  -122.19     49.20      300.2
   23.96    22.55     31.30    13966.5
   24.40   129.37     27.68      198.5
   24.40   127.77     24.92     3312.0
   18.17   -51.75     12.45     1452.5
   16.05   120.88      9.40      492.7
   16.41    -1.54     10.47     1018.5
   25.62   -21.63     47.89     2855.0
   25.52  -135.42     34.69      699.1
   25.68   -75.50     27.95      601.4
   18.00    95.29      7.12     6772.5
   16.70    31.45      4.71    21815.0
DirAx input files should have extension .drx. If a different extension is used, the full name must be supplied. Similarly if the file is not located in the current directory.

Help

By typing help at the Dirax prompt, a webbrowser (firefox, mozilla, netscape) is started to display this documentation. If you want to use another browser, you must store the name in the environment variable BROWSER or define the browser with \alias browser yourbrowser.

A description of all commands can be found here.
Many practical cases are explained in the examples page.

Acknowledgements

Final Notes