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Code to produce and save stacked 1D NMR plots from data generated by TopSpin.

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1D-NMR-Stack-Plotter-Bruker

Code to produce and save stacked 1D NMR plots from data generated by TopSpin.

This code produces plots of 1D TopSpin-generated NMR data.

Begin by selecting the experiment folder for the first plot using the first data browser. Choose the folder corresponding to the experiment e.g. usr/NMR_Data/Sample_A/1/. Change the proc. no. if it's not 1. Select nucleus and edit limits if desired (limits will update automatically with change of nucleus).

Push "Initial Plot" and the first plot will appear.

Do the same process for the subsequent plots (don't alter limits or nucleus), and plot as many times as desired using now the "Plot" button. Before plotting, the buttons "Colours" or "Monochrome" can be chosen to plot either varying colours, or all black plots, respectively.

The "Save" input can be used to save either a .pdf, .png, or .fig file type, with the specified file name. The default save location is the computer's home directory but this can be set in line 291 (the savelocation variable should be set equal to 'usr/desired_save_path/'). Additionally lines 158 and 171 can have the '~' (pointing to the home directory) replaced by a path to a folder where data is stored (format: 'usr/desired_data_folder').

The "Remove Last Plot" button can be used to clear to most recently added line, and the "Clear Figures" button will close the current figure.

Lastly the "Plot Magnified Section" button allows you to choose start and end points by clicking on a line and that section will be magnified to the amount specified in the dropdown menu. The format is: choose magnification level from the dropdown, click "Plot Magnified Section", then one click to select the line, one to select the start of the section to be magnified, and a third to select the end of the section. The magnified section will plot with the multiplier at the right-end of the line.

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Code to produce and save stacked 1D NMR plots from data generated by TopSpin.

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