FOSTAT: Fourier Map Density Statistics

Authors: Richard Alden & Jim Stewart

Contact: Jim Stewart, Department of Chemistry,

University of Maryland, College Park, MD 20742, USA

FOSTAT determines empirically the distribution of electron density values on a Fourier map on the map bdf written by FOURR. The expected range of electron density values is divided into equal intervals which is assigned a storage counter. Each density point falling within an interval increments the corresponding counter. Values falling outside the specified range are also counted. FOSTAT lists the number of points in each interval; the total number outside the range; the percentages, along with the minimum value for each interval.

File Assignments

Reads the FOURR density points from file map

Example

title DIFFERENCE FOURIER

FOSTAT 500 2 -500