Lattice Parameter Calculator

Version 1.1.4Eb1, by Fuxue Jin


1. What is This Program

This program allows you to calculate the lattice parameter based on your observed XRD data, either with or without Si standard correction being used. Please refer to any appropriate book if you do not know what standard correction means and how to use it.

Note: This is only for Macintosh running Classic. Does not work on Windows.


2. Quick Start

To calculate the lattice parameter, you need to determine the sample structure/crystal system and peak index first. This program allows you to input d spacing or 2 theta as raw data, then converts them as appropriate. In the case of standard correction being used, the correction is also performed at the same time.

2.1. Create New Data file

When you start the program, a new document window is created. You can begin to input your data using the input field. When you hit return or enter key, the data in the input field is put into the data window. You can use tab key or mouse-click to rotate the destination data window; left is for sample, and right standard. The window with thick frame is the current target.

When you have finished, choose appropriate conditions, such as what you have just input is by d spacing or 2 theta, what the system is, and also if you are going to use correction or not when you have Si data available. Then click on the button "Do It". The program will calculate and display the result at the bottom area of the window.

You can save and/or print the data as usual.

2.2. Open and Edit File

You can open a saved file by normal action, such as double clicking the data file or choosing open under the File menu.

Regarding the edit, since there is no heavy editing task performed in the program, a lot of editing features are not implemented. At the moment, you just click on the data cell or using the arrow key to choose the cell you want to edit, and then type the new value and hit return or enter key. Insert/Delete peak under the Edit menu allows you to insert/delete one peak at a time.

When you have opened a file, or edited it, you need to click on the button "Do It" to recalculate the result. Result is not saved when you save a file, only the data you input and the settings you have chosen are saved. When you change the X-ray wave length, it will recalculate the result if you have already had result shown.

Thank you for trying this utility.

Fuxue Jin

Main Window

Change X-ray wave length dialogbox