Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The total scattering method is becoming increasingly popular because of its ability to investigate the structures of disordered crystalline and amorphous materials. Also, in recent years, significant development of total scattering instruments and sample environments has allowed for the study of increasingly complex materials, including multiphase samples. The total scattering formalism has already been well described in the paper by Keen [J. Appl. Cryst. (2001), 34, 172–177] but it was limited to the single phase case. In the present paper the formulae for multiple phase samples (consisting of a physical mixture of two or more distinct phases) are derived for the calculation of pair distribution functions for analysis using reverse Monte Carlo and other methods. The equations for conversion between different representations of the pair distribution function are also provided.

Supporting information


Microsoft Excel (XLSX) file
Excel spreadsheet coefficient calculation tool

Subscribe to Journal of Applied Crystallography

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 

Terms and conditions of use
Contact us

Follow J. Appl. Cryst.
Sign up for e-alerts
Follow J. Appl. Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds