Volume 2

Hypertext Manual for SHELXL_93 Volume 2.

More general information about various aspects of the program is given in Volume 1. This Volume deals with the detailed instructions.

The .INS instruction file - general organisation

Detailed synopses of all SHELXL_93 instructions are given in the logical groupings below. Their default values given in square brackets. A '#' indicates that the program will generate a suitable default value.

Basic instructions in the .INS file
Reflection data input and massaging
Atom list and least squares contraints
The connectivity list
Least-squares restraints
Least-squares organisation
Lists and tables
Fourier and peak search