A program for the derivation of crystal unit cell parameters from x-ray powder diffraction measurements

Title of program: FIRESTAR Catalogue Id: ACFY_v1_0 Nature of problem The program, FIRESTAR, determines the dimensions of a crystallographic unit cell from a set of X-ray powder diffraction measurements corresponding to a set of Bragg reflections, provided that the crystal system applicaBle is known and the bragg reflections have been indexed. The program includes a range of possible extrapolation functions, and the data may be weighted. Provision is made for detecting and rejecting a single 'bad' measurement, and then rejecting measurements which lie outside an e ... Versions of this program held in the CPC repository in Mendeley Data ACFY_v1_0; FIRESTAR; 10.1016/0010-4655(84)90011-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)程序名称：FIRESTAR 目录编号：ACFY_v1_0 问题描述 本程序FIRESTAR可基于一组对应布拉格反射（Bragg reflections）的X射线粉末衍射测量数据集，在已知适用晶系且布拉格反射已完成指标化的前提下，求解晶体学晶胞（crystallographic unit cell）参数。程序内置多种可选外推函数，支持对测量数据进行加权处理；同时可检测并剔除单条“异常”测量值，随后剔除落在某一[原文截断]范围之外的测量值。 Mendeley Data的CPC资料库中收录的本程序版本：ACFY_v1_0；FIRESTAR；DOI:10.1016/0010-4655(84)90011-0 本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2019年）