Subject: Freeware for NMR data processing

From: [email-masked] (Jacobo Cruces)
Date: Fri, 15 Sep 1995 16:46:49 +0200

Dear netters:

        We think this might be of interest to some people in this list. We
have recently found and tested a program for processing NMR data from
different spectrometers. The program is called SwaN-MR. It is a program for
the Macintosh (requires FPU) and Power Macintosh, and it processes and
analyzes NMR spectra. It is also very useful in annotating, printing and
presenting spectra. Spectra coming from Varian Gemini, Bruker AC and Bruker
AMX have been routinely processed. Some VXR, Unity and TecMag files have
also been converted. SwaN-MR was conceived to deal with 4-dimensional
data-sets, but has been tested only with 1- and 2-dimensional spectra.
SwaN-MR can perform the following operations:

Weighting (9 different window functions)
FFT (real, complex, hypercomplex, etc)
Phase Correction (1 manual and 2 automatic options)
Magnitude representation
Baseline Correction (6 options, including 5th degree polynomials and
trigonometric series)
BasePlane correction
Integration (manual and automatic)
Least Squares Fitting (to Lorentzian or Gaussian functions)
Quanto-mechanical simulations
Fast Linear Prediction
Digital Solvent Suppression
T1 calculation (inversion recovery)
Spectral Editing (algebraic addition and much more)
Symmetrization

        SwaN-MR has been written by:

Dr. Giuseppe Balacco
MENARINI s.r.l.
Via Sette Santi, 3
I-50131 Firenze
ITALY

phone: -55 56 80 339
fax: -55 56 80 419
E-mail: [email-masked]

        You can get SwaN-MR as a two self-extracting, compressed files by
ftp anonymous from:

sfdzuma.usc.es (193.144.75.69)
directory: pub/NMR/SwaN-MR.302

        The files need a password to be decompressed. To get the password
just write to Dr. Balacco to the address above.

F. Javier Sardina
Jacobo Cruces Colado
Department of Organic Chemistry
University of Santiago de Compostela
Avda. de las Ciencias s/n
15706 SPAIN

e-mail:    [email-masked]
              [email-masked]