FOURIER_MAP

FOURIER_MAP


This program is a general Fourier program which calculates either a 3D Fourier, or a slant plane Fourier through specified atoms, and writes the file MAPFILE which may be visualised using CONTOUR or MAPVIEW. The required files are name.INS and name.FCF. The latter is a structure factor file containing h,k,l Fobs, sig(Fobs), A(real) and B(imag) and is written by SHELXL using the option LIST 3. The name.FCF file is checked for the correct format, and an error message is issued if an incorrect LIST instruction has been used to write this file.

The options available include: