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README.md
View file @ 415df465
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Set of data analysis routines for surface vibrational spectroscopy based on a Delta05 spectrometer with software from VSI or SPECS.
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.
A fast data browser as graphical user interface is included as **ViewHREELS.py**. It can also take command line arguments. If a particular backend for matplotlib is needed (like on macOS), it can be passed on the command line like this:
Additional a python interface to a Fortran-based calculation of full HREEL spectra is provided in **class lambin** (in **calcHREELS20.py**). Note that this part requires a local compilation (via "f2py3 -c -m myEels20 myEels20.f90") from the Fortran90 files. Only for the Linux-based python version 3.8, there are complied files provided. For details see below.
>: MPLBACKEND=Qt5Agg python3.12 ViewHREELS.py
Additional a python interface to a Fortran-based calculation of full HREEL spectra is provided in **class lambin** (in **calcHREELS20.py**). Note that this part requires a local compilation (via "f2py3 -c -m myEels20 myEels20.f90") from the Fortran90 files. Only for the Linux-based python version 3.8, there are compiled 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.
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libhreels/HREELS.py
View file @ 415df465
......@@ -64,8 +64,8 @@ def HREELS_elog_Dictionary(file, path):
class HREELS:
"""This class handles HREELS data and their plotting. """
path = "\\\\backup-ep3\\BackUp02\\0_experiments\\EELS-PC4\HREELS\\gph_dat\\"
pathSav = "\\\\backup-ep3\\BackUp02\\0_experiments\\EELS-PC4\HREELS\\BATCH\\sav\\"
path = "\\\\backup-ep3\\BackUp02\\0_experiments\\EELS-PC4\\HREELS\\gph_dat\\"
pathSav = "\\\\backup-ep3\\BackUp02\\0_experiments\\EELS-PC4\\HREELS\\BATCH\\sav\\"
# path = "./"
def __init__(self, _filename, datapath=path, dataSav=" ", scan=-1):
# def __init__(self, _filename, datapath=path, dataSav=pathSav, scan=-1):
......