Difference between revisions of "Slice 2d.m"

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{{DISPLAYTITLE:slice_2d.m}} __NOTOC__
 
{{DISPLAYTITLE:slice_2d.m}} __NOTOC__
 +
 
Contour plotting utility with non-linear adaptive contour spacing and slice extraction using mouse. The function is useful for NMR data where small cross-peaks must be adequately contoured next to large diagonal peaks.
 
Contour plotting utility with non-linear adaptive contour spacing and slice extraction using mouse. The function is useful for NMR data where small cross-peaks must be adequately contoured next to large diagonal peaks.
  
 
==Syntax==
 
==Syntax==
  
    slice_2d(spin_system,spectrum,parameters,ncont,delta,k,ncol,m,signs)
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slice_2d(spin_system,spectrum,parameters,ncont,delta,k,ncol,m,signs)
  
 
==Arguments==
 
==Arguments==
  
    spectrum - a real matrix containing the 2D NMR spectrum
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spectrum - a real matrix containing the 2D NMR spectrum
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     parameters.sweep      -  one or two sweep widths, Hz
 
     parameters.sweep      -  one or two sweep widths, Hz
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     parameters.spins      -  cell array with one ot two character
 
     parameters.spins      -  cell array with one ot two character
 
                               strings specifying the working spins
 
                               strings specifying the working spins
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     parameters.offset      -  one or two transmitter offsets, Hz
 
     parameters.offset      -  one or two transmitter offsets, Hz
   
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 +
    parameters.zerofill    - one or two point counts in F1 and F2
 +
 
 
     parameters.axis_units  -  axis units ('ppm','Hz','Gauss')
 
     parameters.axis_units  -  axis units ('ppm','Hz','Gauss')
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     ncont    - the number of contours, a reasonable value is 20
 
     ncont    - the number of contours, a reasonable value is 20
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     delta    - minimum and maximum elevation (as a fraction of the
 
     delta    - minimum and maximum elevation (as a fraction of the
 
                 total intensity) of the contours above the baseline.
 
                 total intensity) of the contours above the baseline.
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                 first pair of numbers refers to the positive conto-
 
                 first pair of numbers refers to the positive conto-
 
                 urs and the second pair to the negative ones.
 
                 urs and the second pair to the negative ones.
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     k    - a coefficient that controls the curvature of the contour
 
     k    - a coefficient that controls the curvature of the contour
 
             spacing function: k=1 corresponds to linear spacing and
 
             spacing function: k=1 corresponds to linear spacing and
 
             k>1 bends the spacing curve to increase the sampling den-
 
             k>1 bends the spacing curve to increase the sampling den-
 
             sity near the baseline. A reasonable value is 2.
 
             sity near the baseline. A reasonable value is 2.
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     ncol - number of colours in the colour map; around 256 is fine
 
     ncol - number of colours in the colour map; around 256 is fine
+
 
 
     m    - the curvature of the colour map: m=1 corresponds to a li-
 
     m    - the curvature of the colour map: m=1 corresponds to a li-
 
             near colour ramp into the red for positive contours, and
 
             near colour ramp into the red for positive contours, and
 
             into the blue for negative contours. A reasonable value
 
             into the blue for negative contours. A reasonable value
 
             for high-contrast plotting is 6.
 
             for high-contrast plotting is 6.
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     signs  - can be set to 'positive', 'negative' or 'both' - this
 
     signs  - can be set to 'positive', 'negative' or 'both' - this
 
               will cause the corresponding contours to be plotted.
 
               will cause the corresponding contours to be plotted.
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==Outputs==
 
==Outputs==
  
    this function creates a figure
+
this function creates a figure
  
 
==Examples==
 
==Examples==
 +
 
Below is the output of examples/esr_solids/hyscore_nitroxide_powder.m example file. When [[plot_2d.m]] call at the end of the file is replaced with a [[slice_2d.m]] call, two more planels containing horizontal and vertical slices appear on the left.
 
Below is the output of examples/esr_solids/hyscore_nitroxide_powder.m example file. When [[plot_2d.m]] call at the end of the file is replaced with a [[slice_2d.m]] call, two more planels containing horizontal and vertical slices appear on the left.
  
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==Notes==
 
==Notes==
 +
 
The following functions are used to compute contour levels:
 
The following functions are used to compute contour levels:
  
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==See also==
 
==See also==
 +
 
[[plot_1d.m]], [[plot_3d.m]], [[volplot.m]], [[molplot.m]], [[mri_2d_plot.m]], [[plot_2d.m]]
 
[[plot_1d.m]], [[plot_3d.m]], [[volplot.m]], [[molplot.m]], [[mri_2d_plot.m]], [[plot_2d.m]]
  
  
 
''Version 2.3, authors: [[Ilya Kuprov]]''
 
''Version 2.3, authors: [[Ilya Kuprov]]''

Revision as of 15:06, 5 April 2026


Contour plotting utility with non-linear adaptive contour spacing and slice extraction using mouse. The function is useful for NMR data where small cross-peaks must be adequately contoured next to large diagonal peaks.

Syntax

slice_2d(spin_system,spectrum,parameters,ncont,delta,k,ncol,m,signs)

Arguments

spectrum - a real matrix containing the 2D NMR spectrum

    parameters.sweep       -  one or two sweep widths, Hz
    parameters.spins       -  cell array with one ot two character
                              strings specifying the working spins
    parameters.offset      -  one or two transmitter offsets, Hz
    parameters.zerofill    -  one or two point counts in F1 and F2
    parameters.axis_units  -  axis units ('ppm','Hz','Gauss')
    ncont     - the number of contours, a reasonable value is 20
    delta     - minimum and maximum elevation (as a fraction of the
                total intensity) of the contours above the baseline.
                A good starting value is [0.02 0.2 0.02 0.2]. The
                first pair of numbers refers to the positive conto-
                urs and the second pair to the negative ones.
    k    - a coefficient that controls the curvature of the contour
           spacing function: k=1 corresponds to linear spacing and
           k>1 bends the spacing curve to increase the sampling den-
           sity near the baseline. A reasonable value is 2.
    ncol - number of colours in the colour map; around 256 is fine
    m    - the curvature of the colour map: m=1 corresponds to a li-
           near colour ramp into the red for positive contours, and
           into the blue for negative contours. A reasonable value
           for high-contrast plotting is 6.
    signs   - can be set to 'positive', 'negative' or 'both' - this
              will cause the corresponding contours to be plotted.

Outputs

this function creates a figure

Examples

Below is the output of examples/esr_solids/hyscore_nitroxide_powder.m example file. When plot_2d.m call at the end of the file is replaced with a slice_2d.m call, two more planels containing horizontal and vertical slices appear on the left.

Hyscore nitroxide powder.png

Notes

The following functions are used to compute contour levels:

 cont_levs_pos=delta(2)*smax*linspace(0,1,ncont).^k+smax*delta(1);
 cont_levs_neg=delta(2)*smin*linspace(0,1,ncont).^k+smin*delta(1);

where smin and smax are computed from the spectrum matrix.

See also

plot_1d.m, plot_3d.m, volplot.m, molplot.m, mri_2d_plot.m, plot_2d.m


Version 2.3, authors: Ilya Kuprov