Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
In a recent publication, Haestier [J. Appl. Cryst. (2009), 42, 798-809] has proposed a method to take care of the unit-cell-parameter uncertainties in the calculation of geometric quantities such as interatomic distances and bond angles by modifying the uncertainties of the atomic coordinates. This problem is addressed here with a different approach, which gives additional insight. For the cell-edge uncertainties, Haestier's results are confirmed and their importance is easily appreciated. However, for the cell-angle uncertainties, it is proved that there exists no simple solution short of calculating the derivatives of the quantity of interest with respect to the angles. Simple rules of thumb are presented for guessing the importance of edge-length uncertainties.

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