Handling and ploting vibrational spectroscopy HREELS data
Project description
HREELS data handling
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.
Most of the routines are within the class HREELS (HREELS.py). A simple command line programm 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(...):
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