CentroMK

Program for normalized structure factor statistics

 

Program CentroMK uses exact probability density function (pdf) [Shmueli, U.,et al. (1984) Acta Cryst. A, p.651] of magnitude of normalized structure factor. It allows more accurate calculation of normalized structure factor distribution and more accurate space group determination.
Program generates histogram of normalized structure factor loaded rom .hkl file. The data about atom content from .ins, .res, .p4p or .cif files is used for calculation of exact pdf. If data about atoms position is available it is possible to compare histogram against Fcalc. The program calculates also <|E|>, <|E2-1|>, %E>2, %E<0.25, function fit R estimators that can be used during space group determination.
The program was described in the publication:
Kowiel, M., J. Appl. Cryst. (2013). 46, 88-92

If you find it interesting or have questions regarding the program please write: Adres poczty elektronicznej jest chroniony przed robotami spamującymi. W przeglądarce musi być włączona obsługa JavaScript, żeby go zobaczyć.

CentroMK screenshot

Obtain a copy

Please fill the form to get the copy of CentroMK. Registration is free of charge, data is stored only for statistical reasons.

 
 

© 2012 Marcin Kowiel
Template design by Andreas Viklund