Subject: Freeware for NMR processing

From: "Javier Sardina" <[email-masked]>
Date: Mon, 18 Mar 1996 16:20:43 +0100

Dear netters:

  It is a pleasure to announce that version 3.1.2 of the NMR processing program 
SwaN-MR is available, as a compressed-self-expanding file and a swaninfo.txt 
file, (via anonymous ftp) from the following repositories:

qobrue.usc.es
directory /ftp/pub/nmr/SwaN_MR_312

www.ccl.net
directory /pub/chemistry/software/MAC/Swan-NR

Or from the following gopher server:

gopher://www.ccl.net:73/11/software/MAC/Swan-NR

SwaN-MR is a FREEWARE program for the Macintosh (with FPU) and PowerMac. It 
processes and analyzes NMR spectra (1D to 4D, from Varian: XL, VXR, Gemini, 
Unity. Bruker: AC, AM, AMX. 20-bit files: Nicolet. Binary files: GE, MacFID. 
ASCII files: real part of transformed spectra). It is also very useful in 
annotating, printing and presenting spectra. The program has been written by:

Dr. Giuseppe Balacco
MENARINI RICERCHE s.p.a.
Via Sette Santi, 3
I-50131 Firenze
ITALY
phone: 39 55 56 80 339
fax:   39 55 56 80 419

In order to use SwaN-MR you need to write a SIGNED AND DATED LETTER (no fax or 
e-mail messages) to Dr. Balacco requesting a LICENSE. There is no fee for the 
license.

The program's capabilities include:
Weighting (9 different window functions)
FFT up to 256K points (real, complex, hypercompex, etcI)
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 in 1 and 2 dimensions)
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
Spectral simulation (up to 9 non-equivalent 1/2 spins -40 in total-)
AND MANY MORE...

WHATUS NEW IN VERSION 3.1.2
	in the historical part
1. Loading 2D files from disc is more than twice faster.
2. A progress-dialog in most converters.
3. The RResultsS window can mantain an almost unlimited quantity of text.
4. More compatibility with Bruker DRX files.
5. The command: Full Atomatic Baseplane correction.
6. The guest spectra donUt disappear with the commands RLoadS, RExtractS, etcI
7. The command RRaw DataS is more flexible.
8. A new converter for spectra in the ASCII format.
9. You can continue using keys like <+>, <->, etcI even when phasing.
10. The command TView/IntegralU.
11. Solvent Suppression is faster and friendly with background applications.
12. Digital Phase is faster in 2D spectroscopy.
13. <Option> + TSymmetrizeU = the new command TTransposeU
14. You can phase directly a 2D spectrum with the clock!
15. The manual has been written in English !!!!!
16. Many small errors have been corrected.

	in the spin simulation part:
1. More correct spin system simulations.
2. Error Analysis.
3. The duck icon performs a different action.
4. Fitting speed is orders of magnitude higher and does not depend on the TpullU
parameter.
5. J values may be linked one to another.
6. Lines may have either Gaussian on Lorentzian lineshapes.
7. There are 5 new fitting options.

  Happy NMR processing

        F. Javier Sardina
  Associate Prof. of Organic Chemistry            phone: (34)-81-591085
  Departamento de Quimica Organica                (34)-81-563100-Ext 4249
Universidad de Santiago de Compostela             fax:   (34)-81-595012
15706 Santiago de Compostela. SPAIN               e-mail: [email-masked]