PSLAUE - POSTSCRIPT FILE LAUE SIMULATIONS

INTRODUCTION

List of sections:

Data Control Cards
Input and Output Files
Running the Program
Notes
Printer Output
Error Messages
Program Function
References

DATA CONTROL CARDS

The program is run interactively with a question and answer sequence as follows:

Name of .ge1 file (including extension):

The reply is the name of the Laue .ge1 file containing the predicted data produced by a program such as GENLAUE.

Name of output postscipt file:

The reply is the name of the output Colour Postscript file

Type of plot required :-

Reflections colour coded by wavelength; highest wavelength for multiples (1)
Reflections colour coded by wavelength; multiples coded white (2)
Singles only; colour coded by wavelength (3)
Multiples only; colour coded by highest wavelength (4)
Plot of nodals versus non-nodals (5)
Plot colour coded by multiplicity (6)

[1]:

The reply is a number from 1 to 6 indicating the type of plot required. The various options available are listed in the prompt. The default value is plot type (1).

Minimum and maximum lambda values [0.25 2.5]:

The reply gives the minimum and maximum wavelength values in Angstroms for which the reflections are to be included in the plot; naturally these values will only have effect if they are within the range of data predicted in the .ge1 file.

Treatment of spatial overlaps :-

Spatial overlaps included (1)
Spatial overlaps excluded (2)
Spatial overlaps only (3)

[1]:

The reply is a number from 1 to 3 indicating how spatially overlapped reflections are to be treated. The options available are indicated in the prompt. The default is 1 to include spatial overlaps.

Diameter, in mm, for plot spots (on A4 page) [0.4]:

The reply indicates the size required for the spots on the output plot. Larger spots will give a clearer picture with the colours more easily distinguished provided that the spots are well spaced. As the number of spots increases the spot size will need to be reduced. The default value should be a reasonable starting point in most cases.

Annotation option :-

No annotation (1)
Print title (2)
Print title and key (3)

[1]:

The reply indicates the type of annotation required. The options available are listed in the prompt. The default, 1, is for no annotation. The key, if present, indicates the type of plot requested, the meaning of the various colour codes and an indication of the treatment of spatial overlaps. The title, if requested will be supplied by the user.

Enter 1 to 3 title lines :-

:

This prompt is only output if a title is required on the plot. The user may enter from 1 to 3 lines of title text.

INPUT AND OUTPUT FILES

The input file is:

1. A Laue binary format .ge1 file as produced by a program such as GENLAUE. It does not matter whether or not the file contains integrated data.

1. A colour postscipt file for a single A4 page.

RUNNING THE PROGRAM

Use the command 'laue pslaue'

The program will prompt for the required input.

NOTES

None.

PRINTER OUTPUT

None.

ERROR MESSAGES

1. Unable to open the input .ge1 or output postscript file.

   **Unable to open the file**

2. Invalid option number given

   One of the following:

   **Invalid option, must be 1-5**

   **Invalid type, must be 1-3**

3. Syntax error in numerical reply

   **SYNTAX ERROR IN FIELD 'n' **
   print of the invalid text
   

PROGRAM FUNCTION

The program PSLAUE is used to produce colour coded Laue pattern simulations from data in Laue .ge1 files. The output of the program is a Colour Postscript file.

The idea is based on a program ESLAUE written by I.J. Clifton to produce similar plots on an Evans and Sutherland display which were then photographed from the screen.

The present program has some extra options and allows for annotation of the plots. Though it avoids having to film a graphics display, it does of course, assume that a suitable colour postscript supporting output device is available. At the Daresbury Laboratory, such a device is the film recorder which produces high quality colour slides.

REFERENCES

None.