Hi,
As Jacobo promised, we send you the testfis.zip (attachment) and the
readme.txt (in this message).
greetings,
Carlos
*** Readme.txt ***
=======================
MestRe-C for Windows 95
=======================
Thank you choosing MestRe-C. Please read the following as it contains
important information about this release.
VERSION 1.1.1
This is a freeware NMR data processing program for Windows 95.
--------
CONTENTS
--------
1.-MINIMUM REQUIREMENTS.
2.-INSTALLATION.
3.-REGISTER YOUR COPY OF MestRe-C.
4.-WHAT'S NEW.
5.-BUGS FIXES.
6.-GETTING STARTED.
7.-WORKING WITH MestRe-C.
8.-FEATURES YOU WILL FIND IN THE NEXT VERSIONS OF MestRe-C.
9.-SUPPORT.
10.-ACKNOWLEDGEMENTS.
-----------------------
1.-MINIMUM REQUIREMENTS
-----------------------
MestRe-C 1.1.1 requires the following:
- 486 or higher CPU (a pentium processor is highly recommended).
- Windows 95.
- Microsoft (or compatible) mouse.
- At least 8 MB RAM and 1MB of free hard disk space.
The program was tested under the following conditions:
-CPU:Pentium 120 and Pentium 133 Mhz
-Operating System: Windows 95.
-Screen resolution: 800x600 pixels, 16 millions of colors.
-Printer: Hewlett Packard LaserJet 4L.
---------------
2.-INSTALLATION
---------------
How to get MestRe-C: you can download MestRe-C (as a ZIP file), by anonymous
FTP, from
any of the following sites:
-qobrue.usc.es/nmr/mestrec
-ftp.rediris.es/software/incoming/sciencie/nmr/mestrec11
-ftp.uniovi.es/pub/win95/nmr
-www.ccl.net/
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 (mestrec111.zip) into the
directory you created in step 1.
3. Unzip the file mestrec111.zip. You will need a decompressor to unzip the
file, such as
pkunzip or StuffIt Expander.
If you do not have any of them, you can download pkunzip, by anonymous
ftp, from
qobrue.usc.es/
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.
---------------------------------
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.
----------
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.
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