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Tutorials and Examples

Peak Fitting using Xfit-Koalariet (Coelho and Cheary) for Win95/NT

Automation of Repetitive Peak-fitting with XFIT for Win95/NT using a KeyStroke/Macro Recorder-Player for Mass Analysis of Similar Patterns

Use With Care!!!

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [XFIT Tutorial Index] | [Fundamental Parameters Fitting]

Disclaimer: Careless use of Macros/keystroke players can cause damage to your files. Use with Care. You have been warned.

Present page is a "proof of concept" guide using the shareware Macro Scheduler software.

The Problem

When you have 50 to a couple of thousand very similar files that you wish to fit, XFIT can become quite repititious to use involving hours/days of drudgery.

A Possible Solution

A kludgy solution solution to this is to use a Windows Macro-keystroke logger/player. When combined with the (presently a beta version) PRJ program from Andrew Jupe. This will help you setup a PRJ file, ready to do some automated peak fitting on. A better solution would be software that allows for "mass analysis of data" given the improvement in data collection times, especially in use at Synchrotrons.

Following is a quick guide to hopefully get you going if you are interested in using a simple macro/keystroke playing based method for automating XFIT under these circumstances.

The page on "Why does XFIT seem slower than usual?" explains why you cannot just display 150 patterns on the screen (with peaks inserted ready to go) and start fitting (all refined parameters are part of the same least squares matrix, even on separate datasets).

The the trick is to display one plot at a time maximized on the screen, FIT, then display a new file (toggling either using ~ (or CNTRL TAB) if you want to keep the screen unsized), then fit; and continually do this.

Example of using the above macro on an XFIT Project.

(in the following example, the above basic macro text was repeated 20 times to match 20 files to be fitted in the project) Click here for the Macro Scheduler doobry2.scp macro file used to automatically fit the 20 powder patterns in this example

[Tutorials page] | [XFIT Tutorial Index]

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