NADA -: a computer program for the simultaneous refinement of orientation matrix and modulation vector(s)

被引：25

作者：

Schönleber, A ^{[1
]}

Meyer, M ^{[1
]}

Chapuis, G ^{[1
]}

机构：

[1] Univ Lausanne, Inst Cristallog, BSP Dorigny, CH-1015 Lausanne, Switzerland

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2001年 / 34卷

关键词：

D O I：

10.1107/S0021889801014182

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

NADA is a computer program for the simultaneous refinement of the components of the orientation matrix and the components of up to three modulation vectors by the method of least squares. Using the spatial peak positions and the orientation matrix of the main reflections from a single-crystal diffraction experiment and rough estimates of the modulation vector(s) components, NADA re-indexes the peaks (main and satellite reflections) with integers in higher dimensions (hklm(1), hklm(1)m(2) or hklm(1)m(2)m(3), respectively) and refines the orientation matrix and modulation vector(s) components from the observed peak positions. Standard uncertainties on all refined parameters are calculated analytically.

引用

页码：777 / 779

页数：3