Difference between revisions of "Plot 3d.m"
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Revision as of 17:26, 8 December 2015
Volume isosurface plotting utility with non-linear adaptive isosurface spacing.The function is useful for NMR data where small cross-peaks must be adequately contoured next to large diagonal peaks. Syntax:
plot_3d(spin_system,spectrum,parameters,ncont,delta,k,signs)
The following functions are used to compute contour levels:
cont_levs_pos=delta(2)*xmax*linspace(0,1,ncont).^k+xmax*delta(1); cont_levs_neg=delta(2)*xmin*linspace(0,1,ncont).^k+xmin*delta(1);
where:
* xmax and xmin are calculated from the spectrum;
* delta is the minimum and maximum elevation (as a fraction of total
intensity) of the contours above the baseline. A reasonable value
for most 3D spectra is [0.02 0.2];
* ncont is the number of contours, a reasonable value is 20.
* k 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 density near the baseline. A reasonable
value is 2;
* signs can be set to 'positive', 'negative' or 'both' - this will
cause the corresponding contours to be plotted.
The following subfields are required inthe parameters structure:
parameters.sweep three widths, Hz
parameters.spins cell array with three character
strings specifying the working
spins.
parameters.offset three transmitter offsets, Hz
parameters.axis_units axis units ('ppm','Hz','Gauss')