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*****************************
MestRe-C
Version 1.2.1 for Windows 95
*****************************

J. Carlos Cobas, Jacobo Cruces and F. Javier Sardina

             Departamento de Química Orgánica
           Universidad de Santiago de Compostela
                15706 Santiago de Compostela
                           SPAIN

MestRe-C is a freeware NMR data processing program for Windows 95.
-----------
WHAT'S NEW. 
-----------
RELEASE 1.2.1 

*Enhancements*
-A new GE/Nicolet(NT/QE/GN) converter
-A Byte Swap command to perform a swap of all bytes in every word
-Automatic reference (only available in Bruker and Varian files)
-The printing routine has been improved
-Capabilities to export high-quality graphic images as windows metafiles
-New visual options have been added to the workspace window that offers choices about how to view your FID/Spectrum: 
     -Dual display zoom
     -Grid
-Multiple Point Baseline Correction
-Several bugs have been fixed in the Aspect and Nuts converters

RELEASE 1.1.2 

Several bugs have been fixed in the plotting, integration and Data Export as ASCII routines. 

RELEASE 1.1.1 

A bug has been fixed in the plotting routine. 

RELEASE 1.1 

This release of MestRe-C for Windows 95 includes the following new features and updates: 
- More converters : Bruker XWIN-NMR, Win-NMR and Varian Gemini from V_Helper. 
- Automatic phase correction. 
- More apodization functions, including a Traficante resolution enhancement, a Hanning Function and a Hamming Function. 
- Interactive apodization. 
- Suppression of peaks from the spectrum. 
- Capability to export data and peak picking report to a file in ASCII format. 
- Signal to noise ratio estimation. 
- The pivot point is marked with a cursor on the top of the tallest peak in the spectrum. 
- A default mode. 
There have been numerous minor changes to this version of MestRe-C... as well as a few bug fixes:

BUGS FIXES 

We have fixed bugs in the following routines: 
- Manual phase correction. 
- Integration. 
- Import. 
- Radio buttons on weighting dialog box. 
- Printing. 

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INSTALLATION
------------

Install MestRe-C as follows: 

1. Create a new directory on your hard disk for the MestRe-C files
(C:\MestRe-C is a good choice). 

2. Copy the MestRe-C compressed file (mestrec121.zip) into the directory you created in step 1. 

3. Unzip the file mestrec121.zip. You will need a program to unzip the file, such as pkunzip or StuffIt Expander. 

4. The following files should be now in the directory.

     MestRe-C.exe : The executable file.
     MestRe-C.hlp : The help file.

No changes will be made either in the registry or in any other system files. 

-------
SUPPORT
-------

You can get support directly from the authors (e-mail: qojskd@usc.es). Bug reports and suggestions to improve the program
are always welcome. 

---------------------------------
3.-REGISTER YOUR COPY OF MestRe-C
---------------------------------
Although MestRe-C is freeware, we ask you to register your copy so we can
keep you 
updated about new versions, improvements,...

To register, send an e-mail message, containing your name and full address, to 
qojskd@usc.es

-------------
4.-WHAT'S NEW
-------------

RELEASE 1.1.1

This release of MestRe-C for Windows 95 includes the following new features and 
updates:

· More converters : Bruker XWIN-NMR, Win-NMR and Varian Gemini from V_Helper.
· Automatic phase correction.
· More apodization functions, inclunding a TRAFICANTE resolution
enhancement, a Hanning 
  Function and a Hamming Function.
· Interactive apodization.
· Suppression of peaks from the spectrum.
· Capability to export data and peak picking report to a file in ASCII format. 
· Signal to noise ratio estimation.
· The pivot point is marked with a cursor on the top of the tallest peak in
the spectrum.
· A default mode.

There have been numerous minor changes to this version of MestRe-C... 
as well as a few bug fixes:

-------------
5.-BUGS FIXES
-------------

We have fixed bugs in the following routines:
· Manual phase correction.
· Integration.
· Import.
· Radio buttons on weighting dialog box.
· Printing.




------------------
6.-GETTING STARTED
------------------

To start MestRe-C, double click on the MestRe-C Icon. 
 
MestRe-C uses a consistent Windows 95 interface. The program has a title
bar where the name of the current FID/Spectrum is displayed.
All the actions of MestRe-C are available in a menu bar although the most fre-
quently used functions can be executed from the tool bar. The work area is
the main
window where all the graphical display is displayed.
In the bottom is the window state which is used to show messages (i.e.the
cursor position and the intensity) and tips. 

------------------------
7.-WORKING WITH MestRe-C
------------------------

->Opening/Importing files

The first thing you have to do is to OPEN a file. This file must be in 
MestRe-C format (extension MRC), otherwise you will have to IMPORT it. MestRe-C
can import files coming from Bruker (UXNMR/XWIN-NMR, Aspect 3000/2000 and
WIN-NMR) and
Varian (VXR and Gemini). It can import files from Nuts format as well. This
option was 
implemented in order to take advantage of  the data base of FID's that
exists in the Nuts 
format at the Pacific Lutheran University. 

->Manipulating the FID

Normally the file you have opened is an FID. You can apply a 
suitable weighting function to the raw data. MestRe-C has implemented the
following filter functions:
     - Exponential multiplication.
     - Gaussian multiplication.
     - Lorentzian-Gaussian multiplication.
     - TRAFICANTE resolution enhancement.
     - Sinebell multiplication.
     - Squared sinebell multiplication.
     - Hanning function.
     - Hamming function.

->Interactive apodization

This option allows you to adjust apodizations interactively, monitoring
their effect on the final 
spectrum and in the signal to noise ratio value, either in the time or in
the frecuency domain. 

->Transforming the FID

To obtain the spectrum you have to transform data from an FID into frequency
domain spectral 
data. Fast Fourier Transform can be performed up to 64K complex points. The
user can select 
among several options: direct, inverse, real, complex, singlature,
quadrature, drift correction, 
zero-filling and truncation. 

->Phase correction

The spectrum can be manually phase corrected by changing the values of both
zero and first 
order correction angles. An automatic phase correction, (for the zero order
angle) is also 
available.

->Baseline correction

The spectrum baseline can be ajusted, either manually or automatically.

->Integration

Integrals can be meassured and set to a user-defined value. All the other
integrals will be
normalized to that value.

->Peak-Picking

This option locates peaks in the spectrum and writes the list of peaks to
the Edit Peaks 
dialog box, that can be printed out or transfered to a word proccesing
program in ASCII 
format.

->Suppression of Peaks

Removes peaks from the spectrum. 

----------------------------------------------------------
8.-FEATURES YOU WILL FIND IN THE NEXT VERSIONS OF MestRe-C
----------------------------------------------------------

-New convertes will be added:Nicolet, JEOL...	
-More weighting functions:Trapezoidal...
-A module for simulating NMR spectra.
-Capabilities to work with two spectra at the same time and perform arithmetic
 operations with them.
-Work with 2D spectra. 
-Incorporate OLE technology.

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9.-SUPPORT
----------
You can get support directly from the authors (e-mail: qojskd@usc.es)
Bug reports and suggestions to improve the program are always welcome.

For more information check out our WWW Home Page:

    http://qobrue.usc.es/jsgroup/MestRe-C/MestRe-C.html

>From our home page you can download the latest  version of MestRe-C and find
out the
latest information on improvements and plans for future versions.  

--------------------
10.-Acknowledgements
--------------------
Many thanks to the people that made this possible:

    - Giuseppe Balacco (our inspiration, we would like to be like him some day).
    - Jose Saá Merino (who got us out of a lot of programming problems).
    - Shamil Latypov (for all his spectroscopic help).
    - Stefano Chimichi (for his help with the Varian converters).
    - Marc Schuetze (for his help with the XWIN-NMR converters).
    - To all the people that didn't complain for our overuse of the deparment 
      computers.


 











Modified: Sat Mar 15 17:00:00 1997 GMT
Page accessed 9006 times since Sat Apr 17 19:06:17 1999 GMT