Chemical Physics Letters, Vol.390, No.4-6, 394-398, 2004
An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data
A method for calculation of the whole-profile powder diffraction R-factor R-wp, adapted specifically for use in direct-space structure solution, is shown to be faster by a factor of approximately 20 than standard methods for calculating R-wp. (C) 2004 Elsevier B.V. All rights reserved.