September 2005 - techniques

Rietveld data for Quantitative Analysis

Some of the down loads from the quantitative round robin are not yet available to test your Rietveld procedures.

Sorry for the delay - Please revisit in a week or so!

The measured data being released for test purposes was part of our 2003 quantitative Round Robin. There are TWO data sets: a natural mineral (MIN) and a synthetic pharmaceutical (PHARMA) mixture.
The quantitative analysis results you should obtain by rietveld analysis for the two materials are as follows:

MINERAL
Rutile 99.16%
Anatase 0.84%

PHARMACEUTICAL:
Lactose 84.92%
Paracetamol 15.08%

The PHARMACEUTICAL measurement scan data is now available for download in ASCII xy format.

A link to download the measurement scan MINERAL data will appear here as soon as it is available.

A link to download the crystallographic data needed for the Rietveld analysis will appear here.

You don't have Rietveld software! The CCP14 presentation at the Autumn meeting on 19th October 2005 will cover Rietveld software suitable for quantitative analysis, so please try to attend! If you can't get there we hope to post a report from the meeting here in due course.