Nature of physical problem
The program, FIRESTAR, determines the dimensions of a Catalogue number: ACFY crystallographic unit cell from a set of X-ray powder diffraction measurements corresponding to a set of Bragg reflections, Program obtainable from: CPC Program Library, Queen's Uni-provided that the crystal system applicable is known and the versity of Belfast, N. Ireland (see application form in this issue)
Bragg reflections have been indexed. The program includes a range of possible extrapolation functions, and the data may be Computer: VAX 11/780 weighted. Provision is made for detecting and rejecting a single 'bad' measurement, and then rejecting measurements which lie Operating system: VERSION 3 outside an error limit set in the input data.
Programming language used: FORTRAN 77
Method of solution
Calculations are based on standard X-ray powder diffraction High speed storage required: 38 Kbytes methods.
No. of bits in a byte: 8
Restrictions on the complexity of problem
Up to 100 sets of Miller indices/data sets can be processed. Peripherals used: card reader, line printer