Scripts to Plot Data:
- graphDemo.lua : plots amide exchange data for a given peak and peaklist. It assumes a batchlist setup as described in BatchIntegration. Basically reproduces the function Show Peakcurve in MonoScope Integrator menu.
- ChemShiftDeviationsPlot.lua : Plots deviations from random coil shifts for a particular atom (like CA). See ChemShiftDeviationsPlot for details and some screenshots.
- multiplespectrumview.lua : overlay contour plots for any number of 2D spectra and a peaklist, colors are fully customizable. Use Shift-Ctrl Click drag to Zoom and Home key to restore to full ppm range.
NOTE: It is now possible to overlay contours in different colors in PolyScope (and to plot them in PrintPreview?). See Release 1.1.4. This script is kept here as a demonstration of how to use LUA to build custom scopes.
- UPDATE: Some new features like customizable contour parameters, background color, ... See MultipleSpectrumView for details and some screenshots.
- UPDATE: Modified to work with several projects, autocontour or constant threshhold mode, peak label display (not spin numbers) multiplespectrumview2.lua
- UPDATE: Increased functions to navigate and expand contract view, included cursor display, a peaklist bug fix.
multiplespectrumview3.lua
- Fixed a bug which read the peaklist indexes incorrectly (versions 1 & 2 displayed the wrong peaklist if the peakID numbers where not consecutively numbered).
- Added navigation functions: Ctrl-click-drag to shift plot region, PageUp, PageDown to go up/down one region, Ctrl-PageUp/Ctrl-PageDown to go left/right one region.
- Added Expand/Contract 2X functions: Shift-Ctrl-UpArrow to expand displayed region vertically, Shift-Ctrl-DownArrow to contract displayed region vertically, Shift-Ctrl-LeftArrow to expand horizontally, Shift-Ctrl-RightArrow to contract horizontally.
- Display1DSlice.lua : Generates a 1D slice plot of Dim2 from a 3D for a given residue with HN(Dim1) and N(Dim3). Makes use of Slice Buffers.
- GetSliceFrom1D.lua : Gets a slice from a 1D spectrum. You can plot the slice, send the ppm,intensity values to the terminal, or send the ppm,intensity values to a file for plotting in external programs.