Free Software for Ross Angel

Zref allows you to perform two types of calculations from single-crystal diffraction measurements, in order to determine unit-cell parameters. If you have centred reflections in 8 positions on the diffractometer with the zref command in the Single...

With Twin Calculator, determine the relative orientation of crystals whose orientation matrices have been determined at the same time by single-crystal diffraction. This will work not only for twins but also for any pair of crystals that are in the same...

Conlev is a small utility to calculate the points on a variance-covariance ellipse, specifically written for plotting the covariance of bulk modulus K, and its pressure derivative K'. Before running the program, you need to know the values of K and K'...

Cif Reader is a software tool designed to handle CIFs from parametric refinements, with many data blocks in a single CIF describing the same structure but at a series of temperatures and pressures. The object of the software is two-fold first to provide a...

Win_Strain is essential for interpreting changes in unit-cell parameters with changes in temperature, pressure or composition, or for calculating the components of the spontaneous strain arising from a phase transition. When the components of the strain...

ABSORB is a program for Windows to correct X-ray intensity data from any source and any detector type (lab or synchrotron, point detector or area detector). Corrections can be made for spherical crystals, and crystals with regular or irregular shapes, and...

Win-IntegrStp is a graphics-based program for Windows to integrate step-scan data from single-crystal diffractometers. It allows the user to examine individual reflections, determine optimum profile parameters and to integrate data-sets automatically or...

SINGLE is a control program for four circle diffractometers equipped with point detectors. It is especially optimized for precise determination of lattice parameters from single crystals, but will perform intensity data collections and other types of...

EosFit is a program to do calculations with equations of state such as producing P-V and K-P curves from EoS parameters, doing P-V integrals, and converting P-V data to f-F plots. It Handles Murnaghan, Birch-Murnaghan, natural strain, and Vinet equations...

POWF is a program to convert powder diffraction datafiles from one format to another. For input file use the upper select button to access a file browser to select a filename. If the program does not recognize the extension on the filename, use the...