Edit detail for ScriptsToPlotData revision 1 of 1
1
Editor: damberger
Time: 2006/10/25 13:28:09 GMT+0
Note: Moved these here to unclutter CALUA page 
changed:
-
Scripts to Plot Data: 

 "Return to Main CALUA page":CALUA

 * <a href="graphDemo.lua">graphDemo.lua</a> : 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.

 * <a href="ChemShiftDeviationsPlot.lua">ChemShiftDeviationsPlot.lua</a> : Plots deviations from random coil shifts for a particular atom (like CA). See ChemShiftDeviationsPlot for details and some screenshots.

 * <a href="multiplespectrumview.lua">multiplespectrumview.lua</a> : 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":Release1.1.4. 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)
    <a href="multiplespectrumview2.lua">multiplespectrumview2.lua</a>

  * **UPDATE**: Increased functions to navigate and expand contract view, included cursor display, a peaklist bug fix.
    <a href="multiplespectrumview3.lua">multiplespectrumview3.lua</a>

   * 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.

 * <a href="Display1DSlice.lua">Display1DSlice.lua</a> : 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.

 * <a href="GetSliceFrom1D.lua">GetSliceFrom1D.lua</a> : 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.

Scripts to Plot Data:

Return to Main CALUA page

  • 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.