Mjeppesen: Created page with "category:MVAPACK =General Notes= MVAPACK operates in Octave - therefore it uses native octave/MATLAB syntax. A typical script would encase multiple lines of code. Here..."

2022-01-18T22:54:45Z

Created page with "category:MVAPACK =General Notes= MVAPACK operates in Octave - therefore it uses native octave/MATLAB syntax. A typical script would encase multiple lines of code. Here..."

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[[category:MVAPACK]]

=General Notes=

MVAPACK operates in Octave - therefore it uses native octave/MATLAB syntax.

A typical script would encase multiple lines of code.

Here are a few lines you could execute to ensure MVAPACK is installed correctly.

<code>$octave</code> 
<code>octave 1:>pkg list</code>
 ->This will display all current octave packages. MVAPACK should be listed and the version should match the version listed in the manual. 
<code>octave 2:>x = [1:100];</code> 
<code>octave 3:>y = sin(x);</code> 
<code>octave 4:>plot(x,y);</code> 
->This will display a sin wave plot. If this is plotted in the terminal you need to check your X11 forwarding. This should plot to a new window. 

=Sample MVAPACK Script=
Once you are in an appropriate octave environment as proven above. The following can be executed to load in data from a file.

<code>octave 1:>F.dirs = glob('/location/of/your/data');</code> ''Note: This function will take everything from this file location. Make sure there is only data there.'' 
<code>octave 2:>[F.data, F.parms, F.t] = loadnmr(F.dirs);
</code>
 
<code>octave 3:>F.data = zerofill(F.data, F.parms);</code> 
<code>octave 4:>[S.data, S.ppm] = nmrft(F.data, F.parms);</code> 
<code>octave 5:>[S.data, S.phc0, S.phc1] = autophase(S.data, F.parms);</code> 
<code>octave 6:>X.data = realnmr(S.data, F.parms);</code> 
<code>octave 7:>X.ppm = S.ppm;</code> 
<code>octave 8:>pcaMdl = pca(X.data);</code> 
<code>octave 9:>rqplot(pcaMdl);</code>

This example guides you through a simplified path to examine NMR data. This is not a suggested script for regular use, but rather an example to try and see how data is handled in the MVAPACK software package.

A complete script can be accessed through MVAPACK online for specific purpose or [[MVAPACK_Master_Script |Here.]]

Using MVAPACK - Revision history

Mjeppesen: Created page with "category:MVAPACK =General Notes= MVAPACK operates in Octave - therefore it uses native octave/MATLAB syntax. A typical script would encase multiple lines of code. Here..."