Metadata-Version: 2.1
Name: libHREELS
Version: 0.9.7
Summary: Handling, simulating, and plotting HREELS and Auger spectroscopy data
Home-page: https://gitlab.informatik.uni-halle.de/e3fm8/libHREELSnew
Author: Wolf Widdra
Author-email: wolf.widdra@gmx.de
License: UNKNOWN
Description: # HREELS data handling and simulation
        
        Set of data analysis routines for surface vibrational spectroscopy based on a Delta05 spectrometer. Simple data reading and plotting routines are provided, but also advanced routines for in depth analysis.
        
        A fast data browser as graphical user interface is included as **ViewHREELS.py**. It can also take command line arguments.
        
        Additional a python interface to a Fortran-based calculation of full HREEL spectra is provided in **class lambin** (in **calcHREELS.py**). Note that this part requires a local compilation (via f2py3) from the Fortran90 files. Only for the Linux-based python version 3.6, there are complied files provided. For details see below.
        
        Most of the routines are within the **class HREELS** (HREELS.py). A simple command line program is "showHREELS.py", which reads one data file and plots the spectrum with a second amplified trace.
        
            Usage:  >python showHREELS.py filename [factor wavenumber]
        
                E.g.: python showHREELS.py H9H03 100 53 
        
        More general usage:
        
        Read dataset by calling the HREELS class:
            **data1 = HREELS('filename', datapath='datapath')**        # Here you can omit the extension '.gph'
                                                            # The second argument is optional
                                                            
            This will assign/calculate the following properties:
            
            data1.filename
            data1.datapath
            data1.startTime
            data1.stopTime
            data1.totalTime
            data1.timePerChannel
            data1.numberOfSegments
            data1.energy    # Electron kinetic energy
            data1.filament  # Filament current in Ampere
            data1.segments  # list of segment info
            data1.data      # [(-100.1021616, 259.5), (-98.5374352, 264.5), ...]
            data1.xdata
            data1.ydata
            data1.maxIntensity  # Count rate of elastic peak
            data1.resolution    # width of elastic peak
        
        The following methods are defined within the class:
        
            info()      :   Print information about the spectrum
            plot()      :   Draws the spectrum. Optional arguments are:
                            (xmin=None, xmax=None, factor=1, label='x', normalized=False, color="b-",marker=True)
        
            plotInfoAmp()   Draws spectrum together with amplified trace.
            pickPeak()  :   Select peak by mouse cursor. The call of figure() is required before.
            selectData():   Returns the data between wavenumbers x1 and x2
            findIndex(lossenergy): Returns the data array index for a given energy loss
            setMarker(x, y, ymin=0, size=None): Sets vertical marker with text label 
            plotWaterFall(...):
                
        
        # calcHREELS
        
        These routines are based on the publication "Computation of the surface electron-energy-loss spectrum in specular geometry for an arbitrary plane-stratified medium" by P. Lambin, J.-P. Vigneron, and A. A. Lucas, in the Journal "Computer Physics Communications 60, 351-64(1990)".
        
        
        
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Description-Content-Type: text/markdown
