Metadata-Version: 2.1
Name: FTIR-background-subtract
Version: 1.2.0
Summary: A GUI tool for drawing polynomial backgrounds on FTIR spectra and subtracting them to get total absorbance (by height) of a desired peak.
Home-page: https://github.com/kaylai/ftir-background-subtract
Author: Kayla Iacovino and Nial
Author-email: kaylaiacovino@gmail.com
License: UNKNOWN
Description: # ftir-background-subtract
        
        README FOR FTIR BACKGROUND SUBTRACT TOOL 
        Copyright Nial Peters & Kayla Iacovino, 2021
        
        Version 1.2.0
        Released September 2, 2021
        Contact: kaylaiacovino@gmail.com
        
        RUNNING THE SCRIPT: 
        Make sure you have the correct dependencies 
        installed before running the script: 
        Python 
        wxPython
        matplotlib 
        pylab 
        numpy
        
        Navigate to the directory where bkgd_subtract.py is located. Type
        "python bkgd_subtract.py" into a terminal. If you have all the
        dependencies installed properly, it should run the program.
        
        
        USING THE PROGRAM: 
        Chose your file in the file chooser window. Your
        spectrum file should be two columns with wavenumber and absorbances (see
        the example file test-spectrum.CSV).
        
        Use the red and green sliders to set the boundaries over which a
        polynomial will be fit to your spectrum. Everything within the green
        sliders will be included in the fit. Everything within the red sliders
        will be excluded from the fit. The standard approach is to place the red
        sliders just outside of the peak of interest and set the green sliders
        to include as much background as possible corresponding to that peak.
        Once you have chosen your slider positions, click "Apply". Clicking
        apply will first find the limits set by your sliders and then calculate
        a background polynomial. The polynomial will then be shown in the second
        plot (blue points are points used in the fitting; red points are those
        that could not be fit and were excluded from the fitting). The
        background-subtracted portion of your spectrum will be shown in the
        bottom plot. Hover your mouse over the peak to get the y-value.
        
        The four buttons labelled "3500", "CO3", "4500", "5200", and "CO3 (2)"
        will suggest placement of the sliders for various parts of the spectrum.
        If using the suggested limits, do not click "Apply", which will read the
        positions of the limits shown by the sliders. Instead use "Apply
        suggested", which instead applies the values in the text boxes.
        
        The "Get Limits" button will find the values of the sliders and put them
        into the limit text boxes. Limits can also be typed in manually. You do
        not need to click "Get Limits" before clicking "Apply".
        
        The Fit Order is the order of the polynomial. We suggest using fit
        orders from 1-5.
        
        
        THE PLOTS:
        There are three plots shown: (1) Your data [top]; (2) The fit to your data [center]; (3) The background-corrected data [lower].
        
        The top plot contains the data loaded from your CSV file and should never be blank. Upon opening the program, the central and lower plots will be blank. Once a background is drawn, the central and lower plots will be populated.
        
        
        A NOTE FOR MAC USERS:
        For some reason, the standard matplotlib toolbar (containing such useful features as zoom, pan, save image) does not appear on Mac. You can use standard marplotlib keyboard shortcuts to get around this: 
        
        Home/Reset					        	h or r
        Back						            	c or left arrow or backspace
        Forward						          	v or right arrow
        Pan/Zoom					          	p
        Zoom-to-rectangle			        o
        Save						    	        s
        Toggle fullscreen			        f
        Constrain pan/zoom to x axis	hold x
        Constrain pan/zoom to y axis	hold y
        Preserve aspect ratio			    hold CONTROL
        Toggle grid						        g
        Toggle y axis scale (log/lin)	l
        
        
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
