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readme update and new procedure added
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README.md

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***
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This repository contains procedures for the analysis of spectra. These can be, for example, Raman or IR spectra or others. The procedures are for analyzing raw data (x,y columns) of data loaded in IgorPro application.
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This repository contains procedures for the analysis of spectra. These can be, for example, Raman or IR spectra or others. The procedures are for analyzing raw data (x, y columns) of data loaded in IgorPro application.
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Refer to the few lines before each function to understand the purpose and the scheme. Edits might be needed for the correct usage of a function depending on the dataset.
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Refer to the few lines before each function to understand the purpose and the scheme. Edits might be needed for the correct usage of a function depending on the specific dataset.
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Question and suggestions are welcome via the Issues tab.
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Question and suggestions are welcome via the `Issues` tab.
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## Citing this repository
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Download citation file : [Bibtex](https://raw.githubusercontent.com/ankit7540/RamanSpec_BasicOperations/master/citation/RamanOps.bib) / [Endnote](https://raw.githubusercontent.com/ankit7540/RamanSpec_BasicOperations/master/citation/RamanOps.RIS)
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Citation is requested if the procedures are useful in your analysis. Save the file and open with the reference manager to add to the reference list.
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Save the file and open with the reference manager to add to the reference list.
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Download citation file : [Bibtex](https://raw.githubusercontent.com/ankit7540/RamanSpec_BasicOperations/master/citation/RamanOps.bib) / [Endnote](https://raw.githubusercontent.com/ankit7540/RamanSpec_BasicOperations/master/citation/RamanOps.RIS)

plotting/plot_customization.ipf

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//-------------------------------------------------------------------------------------------
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// plot spectra and export as png
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// save spectra_data as txt
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function plot_spectra_and_export_txt ( ramanshift , title_str, file_name )
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wave ramanshift // xaxis wave
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string title_str // string, for legend, for example, "C\\B6\\MH\\B6"
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string file_name // string, for file_name
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string name
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name=GetBrowserSelection(0)
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wave input = $name
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display input vs ramanshift
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string wname = nameofwave(input)
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print wname
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// ---------------------------------------------
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wavestats /R=[650, 1600] /Q input
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variable spectra_min = v_min
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variable spectra_max = v_max
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// ---------------------------------------------
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wavestats /Q ramanshift
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variable xaxis_min = v_min
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variable xaxis_max = v_max
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// ---------------------------------------------
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SetAxis bottom v_max , v_min
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ModifyGraph grid(bottom)=1,mirror=1,fSize=30,axThick=2,gridHair(bottom)=1,manTick(bottom)={0,500,0,0},manMinor(bottom)={3,2},gridRGB(bottom)=(30583,30583,30583)
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ModifyGraph lsize=3.4
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ModifyGraph manTick(bottom)={0,400,0,0},manMinor(bottom)={3,2}
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ModifyGraph lblPosMode(left)=2,lblMargin(left)=15,tlblRGB(left)=(65535,65535,65535);DelayUpdate
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Label left "Raman intensity"
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Label bottom "Wavenumber / cm\\S-1"
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SetAxis left *, (spectra_max + 0.1*spectra_max)
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// --------------------------------------------
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string title
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sprintf title, "\\Zr260\\s(%s) %s" , nameofwave(input), title_str
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Legend/C/N=text0/J/Z=1/A=MC/X=2.00/Y=2.00 title
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Legend/C/N=text0/J/A=RT
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// exporting data to txt file
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Save/J/M="\r\n" ramanshift , input as file_name
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sprintf file_name, "%s_plot.png", file_name
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SavePICT/E=-5 /B=288/W=(0,0,1000,375) as file_name
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end
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//-------------------------------------------------------------------------------------------

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