Using XRayPlot

Copyright 2001, 2002 George N. Phillips, Jr. and Brian Haas
University of Wisconsin-Madison

Description
XRayPlot allows plots of arbitrary planes of diffraction data given the space group symmetry, the unit cell dimensions, and a list of intensities or structure factor amplitudes with their associated hkl indices.

Running
To run XRayPlot v1.x, the Java 2 Runtime Environment (JRE) version 1.3 or higher must be installed.
To run XRayPlot v2.x, the Java 2 Runtime Environment (JRE) version 1.4 or higher must be installed.
To download the JRE, visit www.java.sun.com.

Once the JRE is installed, XRayPlot can be executed two ways:

(1) If the directory containing the executable java.exe (part of the JRE) is within your system's path, XRayPlot can be run by typing either:
java -jar xrayplot1.jar
java -jar xrayplot2.jar
depending on your version at a command prompt from within the directory XRayPlot is stored in.

(2) If the directory containing the executable java.exe (part of the JRE) is not within your system's path, XRayPlot can be run by typing either:
/(path to java.exe)/java -jar xrayplot1.jar
/(path to java.exe)/java -jar xrayplot2.jar
depending on your version at a command prompt from within the directory XRayPlot is stored in.

Programs Specifications
XRayPlot is a simple program consisting of two windows. The first window asks the user for the specfications of the plot. The plane to display (hu + kv + lw =layer) must have integer values for u, v, w, and layer. The unit cell size must be in Angstroms and the unit cell angles must be in degrees. Both of these values must also be positive numbers. The plane, unit cell size, and unit cell angles must all have a value. In addition, the user must specify a space group. The space groups have two special character representations. The -3- symbol is meant to signify a line over the number 3 (3 bar). The (3) symbol is meant to represent that 3 is subscripted. The user must also select a file format for the input file (XPLOR files must use IOBS or FOBS to specify the intensity), the input file itself, and whether or not the friedel operator is to be applied. Once this information is present and correct, pressing the 'Generate Image' button will bring up the second window showing the plot. The second window has two options for manipulating the plot. The color scale menu allows the user to change the color scale representing the intensities of each point. The intensity menu allows the user to increase, decrease, and reset the intensities. XRayPlot v2.x also has an option to save the image. The plot will be saved as a jpeg.


			Copyright 2001, 2002 George N. Phillips, Jr. and Brian Haas University of Wisconsin-Madison
		Description XRayPlot allows plots of arbitrary planes of diffraction data given the space group symmetry, the unit cell dimensions, and a list of intensities or structure factor amplitudes with their associated hkl indices. Running To run XRayPlot v1.x, the Java 2 Runtime Environment (JRE) version 1.3 or higher must be installed. To run XRayPlot v2.x, the Java 2 Runtime Environment (JRE) version 1.4 or higher must be installed. To download the JRE, visit www.java.sun.com. Once the JRE is installed, XRayPlot can be executed two ways: (1) If the directory containing the executable java.exe (part of the JRE) is within your system's path, XRayPlot can be run by typing either: java -jar xrayplot1.jar java -jar xrayplot2.jar depending on your version at a command prompt from within the directory XRayPlot is stored in. (2) If the directory containing the executable java.exe (part of the JRE) is not within your system's path, XRayPlot can be run by typing either: /(path to java.exe)/java -jar xrayplot1.jar /(path to java.exe)/java -jar xrayplot2.jar depending on your version at a command prompt from within the directory XRayPlot is stored in. Programs Specifications XRayPlot is a simple program consisting of two windows. The first window asks the user for the specfications of the plot. The plane to display (hu + kv + lw =layer) must have integer values for u, v, w, and layer. The unit cell size must be in Angstroms and the unit cell angles must be in degrees. Both of these values must also be positive numbers. The plane, unit cell size, and unit cell angles must all have a value. In addition, the user must specify a space group. The space groups have two special character representations. The -3- symbol is meant to signify a line over the number 3 (3 bar). The (3) symbol is meant to represent that 3 is subscripted. The user must also select a file format for the input file (XPLOR files must use IOBS or FOBS to specify the intensity), the input file itself, and whether or not the friedel operator is to be applied. Once this information is present and correct, pressing the 'Generate Image' button will bring up the second window showing the plot. The second window has two options for manipulating the plot. The color scale menu allows the user to change the color scale representing the intensities of each point. The intensity menu allows the user to increase, decrease, and reset the intensities. XRayPlot v2.x also has an option to save the image. The plot will be saved as a jpeg.