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![badge-OS](https://img.shields.io/badge/OS-tested%20under%20Windows%2010-brightgreen) | ||
![badge-OS](https://img.shields.io/badge/OS-tested%20under%20Windows%2011-brightgreen) | ||
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Support this project and keep always updated about recent software releases, bug fixes and major improvements by [following on github](https://github.com/dpscience?tab=followers). | ||
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![badge-language](https://img.shields.io/badge/language-Python-blue) | ||
![badge-license](https://img.shields.io/badge/license-GPL-blue) | ||
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Copyright (c) 2020-2021 Danny Petschke ([email protected]). All rights reserved.<br><br> | ||
Copyright (c) 2020-2022 Dr. Danny Petschke ([email protected]). All rights reserved.<br><br> | ||
<b>pyDCONTINPALS</b> - A program in Python for running the historical FORTRAN code CONTIN-PALS initially provided by [Provencher (1982)](https://www.sciencedirect.com/science/article/abs/pii/0010465582901746) and [Gregory et al. (1990/](https://www.sciencedirect.com/science/article/abs/pii/016890029090358D)[1991)](https://www.sciencedirect.com/science/article/abs/pii/016890029190367Y). CONTIN-PALS program solves Fredholm integral equations with convoluted exponential decays as kernels of the type that occur in the analysis of Positron Annihilation Lifetime Spectra (PALS).<br> | ||
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![demo](/demo.png) | ||
![demo](https://github.com/dpscience/DCONTINPALS/blob/cef7dea07b87d1b878eec602a3c070a8d5555636/demo.png) | ||
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# Quickstart Guide | ||
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```python | ||
__demoMode = True # disable if running from real data | ||
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# NOTE: spectrum and IRF (or mono-exponential decay spectrum) data vectors require equal length! | ||
# NOTE: SPECTRUM and IRF (or mono-exponential decay spectrum) data vectors require equal length! | ||
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__roi_start = 0 | ||
__roi_end = 7400 | ||
__roi_end = 7400 # Note: number of channels is internally limited by CONTIN to <= 4000, so adjust the '__binFactor' in order to fit the given number of channels into this range | ||
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# file path (and name) to the SPECTRUM data: | ||
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__specDataDelimiter = '\t' | ||
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# file path (and name) to the IRF data: | ||
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__filePathRefOrIRFSpec = 'testData/ref_10ps.dat' | ||
__refDataDelimiter = '\t' | ||
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# define the number of rows, which should be skipped during the import (e.g. for ignoring the header entries): | ||
# define the number of rows to be skipped during the import of the data (e.g. for ignoring the header entries): | ||
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__skipRows = 5; | ||
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# fixed mono-decay component in units of picoseconds [ps] (1/lambda = tau): | ||
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# Note: set to something like 1E-6 if you provide numerical IRF data as input | ||
__tau_monoDecaySpec_in_ps = 182. #[ps] | ||
# Note: set to values below 1E-6 if you are providing numerical IRF data as input otherwise the decay rate in [ps]: | ||
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__tau_monoDecaySpec_in_ps = 182. # [ps] | ||
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# used to simulate the IRF in case of '__demoMode' == True: | ||
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__t_zero = 2000 # channel number | ||
__irf_fwhm = [270.04,498.63] # [ps] | ||
__irf_intensity = [0.9382,0.0618] # [ps] | ||
__irf_t0 = [0.,6.6] # [ps] | ||
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# grid of characteristic lifetimes with equally distributed grid points defining the resulting intensity spectrum | ||
# grid of characteristic lifetimes with equally distributed grid points defining the resulting intensity spectrum to be expected as output: | ||
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__gridTau_start = 10.0 # [ps] | ||
__gridTau_stop = 3000.0 # [ps] | ||
__gridPoints = 100 # 10 ... 100 Note: this value is internally limited to 100 by CONTIN | ||
__gridPoints = 100 # 10 ... 100 Note: this value is internally limited by CONTIN | ||
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# channel/bin resolution [ps]: | ||
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__channelResolutionInPs = 10. # >= 10 ... Note: this value is internally limited by CONTIN. If lower, increase '__binFactor' to fit into this range | ||
__binFactor = 2 # Note: number of channels is internally limited by CONTIN to <= 4000, so adjust the '__binFactor' in order to fit the given number of channels into this range | ||
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# channel/bin resolution [ps] | ||
__channelResolutionInPs = 5. # >= 10 ... Note: this value is internally limited by CONTIN | ||
__binFactor = 1 | ||
# background estimation/calculation region: | ||
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# background estimation: | ||
__bkgrd_startIndex = 6500; | ||
__bkgrd_count = 900; # number of channels with respect to the 'startIndex' | ||
__bkgrd_count = 900; # number of channels with respect to the 'startIndex'' | ||
``` | ||
* <b>execute</b> `pyDCONTINPALS.py`<br> | ||
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[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3665474.svg)](https://doi.org/10.5281/zenodo.3665475) | ||
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## ``v1.x`` | ||
<b>pyDCONTINPALS v1.03</b><br>[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4630108.svg)](https://doi.org/10.5281/zenodo.4630108)<br> | ||
<b>pyDCONTINPALS v1.02</b><br>[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4630108.svg)](https://doi.org/10.5281/zenodo.4630108)<br> | ||
<b>pyDCONTINPALS v1.01</b><br>[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4452238.svg)](https://doi.org/10.5281/zenodo.4452238)<br> | ||
<b>pyDCONTINPALS v1.0</b><br>[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3665475.svg)](https://doi.org/10.5281/zenodo.3665475)<br> | ||
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# License of (py)DCONTINPALS (GNU General Public License) | ||
Copyright (c) 2020-2021 Danny Petschke ([email protected]) All rights reserved.<br> | ||
Copyright (c) 2020-2022 Dr. Danny Petschke ([email protected]) All rights reserved.<br> | ||
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<p align="justify">This program is free software: you can redistribute it and/or modify<br> | ||
it under the terms of the GNU General Public License as published by<br> | ||
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