RFS: McMaille
Hello All:
I am looking for a sponsor for the following package:
Name: mcmaille
License: GPL
Description: Monte Carlo and grid search indexing of powder patterns
McMaille (pronounce : MacMy) is a program for indexing powder patterns by
Monte Carlo and grid search (maille in French = cell in English). The
2-theta peak positions extracted from a peak hunting program are used
together with the intensities in order to build a pseudo powder pattern
to which are compared patterns calculated from the cell parameters
proposed by a Monte Carlo or by a grid systematic search process. In
McMaille versions 0.9-2.0, the calculated intensities were adjusted by a
Le Bail fit (applying 3 iterations of the Rietveld decomposition formula)
using Gaussian peak shapes. In version 3.0, time is gained by a factor 20
by using columnar peak shapes and a "fit" by percentage of inclusion of
the calculated columns inside the "observed" one. The best cells are
refined, more or less.
.
Moreover, McMaille proposes an option of simultaneous two phases indexing
and an automated expert system (black box mode).
The package can be accessed at
deb-src http://fermi.phys.iit.edu/debian/sid source/
deb http://fermi.phys.iit.edu/debian/sid binary/
Cheers,
Carlo
--
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498 Fax: 312.567.3494
Carlo.Segre@iit.edu http://www.iit.edu/~segre
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