Restrained Least-Squares Program (RESLSQ) Users Manual.
NAVAL RESEARCH LAB WASHINGTON DC
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A restrained least-squares program package is available for analysis of x-ray diffraction data from small and medium sized molecules. The package consists of three basic programs. The first, SCATT, prepares a binary data file which contains scattering factor information for each reflection. The second, MODEL, constructs the ideal molecule towards which the experimental model is refined. The third, RESLSQ, performs the least-squares refinement using conjugant gradient sparse-matrix methods. Author
- Statistics and Probability
- Computer Programming and Software