SpekQual

SpekQual is a Python script for X-ray spectrum quality assessment, with this code one can determine beam quality characteristics, such as: HVL₁, HVL₂, QVL, TVL, H_i, E_eff. etc. Currently, spectra data from FLUKA output and SpekPy are supported, other formats could be added in the future releases.

Quick installation guide

Install latest Python 3 interpreter and pip tool, then clone the repository to the preferred location:

git clone https://github.com/GordoNice/spek_qual.git

This command will download all the files in current directory.

Requirements

Additional modules for the SpekQual use (automatically install via pip tool):

• numpy>=1.21.0
• pandas>=1.5.3
• scipy>=1.3.3

All modules listed in requirements.txt.

Basic usage

Script works from cli, type:

./spek_qual.py -h

this will show usage info:

usage: spek_qual.py [-h] [-f format] [-fdn fluka_det_n] [-frd fluka_row_drop] [-fs] [-ss spekpy_sep] [-ms mu_source] [-sc] [-v] spec.dat

spek_qual script calculates beam quality characteristics for the specified X-ray spectrum

positional arguments:
  spec.dat              Input spectrum file

optional arguments:
  -h, --help            show this help message and exit
  -f format, --format format
                        Format of the spectrum file data: "fluka", "spekpy" (default: fluka)
  -fdn fluka_det_n, --fluka_det_n fluka_det_n
                        Only for the spectrum data format: detector number in file to load (Detector n) (default: 1)
  -frd fluka_row_drop, --fluka_row_drop fluka_row_drop
                        Only for the FLUKA spectrum data format: how many rows to drop from beginning of the file (cut to 1 keV) (default: 0)
  -fs, --fluka_save     Only for the FLUKA spectrum data format: save the extracted spectrum data from FLUKA file to the "result" foolder (default: False)
  -ss spekpy_sep, --spekpy_sep spekpy_sep
                        Only for the SpekPy spectrum data format: delimiter used to separate columns in file with spectrum (default: )
  -ms mu_source, --mu_source mu_source
                        Choose mu data: "nist" or "pene" (default: nist)
  -sc, --spekpy_char    Only for the SpekPy spectrum data format: flag to get column with the characteristic fluence, otherwise total fluence will be used for the beam qualification (default: False)
  -v, --verbose         Print information while execution (default: False)

Some examples of spectra data are available under ./data/spectra directory, all the spectra must be stored under this path! For instance, we can load FLUKA data:

./spek_qual.py -f "fluka" -fdn 7 -frd 2 60keV_20_W_Al0-5_21_tab.lis

and get the results as:

spek_qual total beam quality characteristics for the spectrum 60keV_20_W_Al0-5_21_tab.lis

HVL1 (Al / Cu): 0.758746 / 0.0241668 mm
HVL2 (Al / Cu): 1.3664 / 0.0432576 mm
QVL (Al / Cu):  2.12515 / 0.0674244 mm
TVL (Al / Cu):  5.08868 / 0.167239 mm
hi (Al / Cu):   0.555288 / 0.558671 mm
Eeff (Al / Cu): 20.1202 / 20.3921 keV
Emean:  30.0545 keV

In the file 60keV_20_W_Al0-5_21_tab.lis we have 7 spectra of differential yield on every stage of X-ray passage through material. Spectrum is loaded for the final stage (-fdn 7).

FLUKA data is stored in a format:

| Emin [GeV] | Emax [GeV] | F [cm-2 GeV-1 primary-1] | F_rerr [%] | 

We also need to be sure that no data with energy less than 1 keV will be loaded, that's why we need to drop the first 2 rows from the beginning of spectrum data (-frd 2).

All the results will be saved under ./result/60keV_20_W_Al0-5_21_tab_spekqual.dat path.

SpekPy spectrum could be loaded as:

./spek_qual.py -f "spekpy" 130keV_20_W_Al0-5.dat

results will be:

spek_qual total beam quality characteristics for the spectrum 130keV_20_W_Al0-5.dat

HVL1 (Al / Cu): 1.47345 / 0.0490064 mm
HVL2 (Al / Cu): 3.69617 / 0.151569 mm
QVL (Al / Cu):  5.16962 / 0.200575 mm
TVL (Al / Cu):  14.1183 / 0.75245 mm
hi (Al / Cu):   0.398642 / 0.323328 mm
Eeff (Al / Cu): 25.6106 / 26.2829 keV
Emean:  48.8191 keV

SpekPy data have a structure:

| Emid [keV] | F_total [keV-1 cm-2] | F_char [keV-1 cm-2] |

IMPORTANT: NIST data for all the mu coefficients will be used by default! PENELOPE's data could be used with: -mu_source "pene".

NIST data was parsed from the NIST Standard Reference Database 126 and stored under ./data/nist. PENELOPE's data was used from the SpekPy code and is available under ./data/pene. License.txt file is included in the folder.

Documentation

Will be available soon...

TODO list

• Detailed documentation
• Nice pdf output (using LaTeX) with all the results for loaded spectrum
• Other spectra data formats (please contact me for any suggestions)
• ???