[Python-modules-commits] [python-fisx] 02/06: Imported Upstream version 1.0.8
Frédéric-Emmanuel Picca
picca at moszumanska.debian.org
Fri Jun 24 15:22:29 UTC 2016
This is an automated email from the git hooks/post-receive script.
picca pushed a commit to branch master
in repository python-fisx.
commit 5c1004928e0ebd1347a93ab23f2ab1b3cb62440a
Author: Picca Frédéric-Emmanuel <picca at synchrotron-soleil.fr>
Date: Fri Jun 24 08:46:52 2016 +0200
Imported Upstream version 1.0.8
---
PKG-INFO | 6 +-
README.rst | 2 +-
changelog.txt | 6 ++
fisx_data/BindingEnergies.dat | 6 ++
fisx_data/EADL97_BindingEnergies.dat | 26 ++++--
fisx_data/EADL97_KShellConstants.dat | 24 ++++--
fisx_data/EADL97_KShellNonradiativeRates.dat | 26 ++++--
fisx_data/EADL97_KShellRadiativeRates.dat | 22 ++++-
fisx_data/EADL97_LShellConstants.dat | 22 ++++-
fisx_data/EADL97_LShellNonradiativeRates.dat | 22 ++++-
fisx_data/EADL97_LShellRadiativeRates.dat | 22 ++++-
fisx_data/EADL97_MShellConstants.dat | 22 ++++-
fisx_data/EADL97_MShellNonradiativeRates.dat | 22 ++++-
fisx_data/EADL97_MShellRadiativeRates.dat | 22 ++++-
fisx_data/EPDL97_CrossSections.dat | 27 ++++--
fisx_data/KShellConstants.dat | 11 +++
fisx_data/KShellRates.dat | 11 +++
fisx_data/KShellRatesScofieldHS.dat | 124 +++++++++++++++++++++++++++
fisx_data/LShellRates.dat | 12 +++
fisx_data/MShellRates.dat | 8 ++
fisx_data/XCOM_CrossSections.dat | 6 ++
python/fisx.egg-info/PKG-INFO | 6 +-
python/fisx.egg-info/SOURCES.txt | 1 +
python/fisx/DataDir.py | 32 +++++--
src/fisx_version.h | 2 +-
25 files changed, 421 insertions(+), 69 deletions(-)
diff --git a/PKG-INFO b/PKG-INFO
index 5a1413f..e3ef442 100644
--- a/PKG-INFO
+++ b/PKG-INFO
@@ -1,12 +1,12 @@
Metadata-Version: 1.1
Name: fisx
-Version: 1.0.7
+Version: 1.0.8
Summary: Quantitative X-Ray Fluorescence Analysis Support Library
Home-page: https://github.com/vasole/fisx
Author: V. Armando Solé
Author-email: sole at esrf.fr
License: MIT
-Download-URL: https://github.com/vasole/fisx/archive/v1.0.7.tar.gz
+Download-URL: https://github.com/vasole/fisx/archive/v1.0.8.tar.gz
Description: ====
fisx
====
@@ -21,7 +21,7 @@ Description: ====
This software library implements formulas to calculate, given an experimental setup, the expected x-ray fluorescence intensities. The library accounts for secondary and tertiary excitation, K, L and M shell emission lines and de-excitation cascade effects. The basic implementation is written in C++ and a Python binding is provided.
- Account for scondary excitation is made via the reference:
+ Account for secondary excitation is made via the reference:
D.K.G. de Boer, X-Ray Spectrometry 19 (1990) 145-154
diff --git a/README.rst b/README.rst
index eb70da2..c3c288a 100644
--- a/README.rst
+++ b/README.rst
@@ -12,7 +12,7 @@ Main development website: https://github.com/vasole/fisx
This software library implements formulas to calculate, given an experimental setup, the expected x-ray fluorescence intensities. The library accounts for secondary and tertiary excitation, K, L and M shell emission lines and de-excitation cascade effects. The basic implementation is written in C++ and a Python binding is provided.
-Account for scondary excitation is made via the reference:
+Account for secondary excitation is made via the reference:
D.K.G. de Boer, X-Ray Spectrometry 19 (1990) 145-154
diff --git a/changelog.txt b/changelog.txt
index 5ca2577..f849793 100644
--- a/changelog.txt
+++ b/changelog.txt
@@ -1,3 +1,9 @@
+VERSION 1.0.8
+
+Add source of the data to the data files.
+
+Specific additions for Debian testing during build.
+
VERSION 1.0.7
Deal with incorrect line endings in data files
diff --git a/fisx_data/BindingEnergies.dat b/fisx_data/BindingEnergies.dat
index 927bd3c..c70e7f1 100644
--- a/fisx_data/BindingEnergies.dat
+++ b/fisx_data/BindingEnergies.dat
@@ -1,3 +1,9 @@
+#F BindingEnergies.dat
+#U00
+#U01 Compilation of energies obtained from Table I in:
+#U02 F.P. Larkins, Semiempirical Auger-Electron energies for elements 10 <= Z <= 100
+#U03 Atomic Data and Nuclear Data Tables 20 (1977) 311-387
+#U04
#S 1 Binding energies in keV
#N 29
diff --git a/fisx_data/EADL97_BindingEnergies.dat b/fisx_data/EADL97_BindingEnergies.dat
index 210579f..a27f172 100644
--- a/fisx_data/EADL97_BindingEnergies.dat
+++ b/fisx_data/EADL97_BindingEnergies.dat
@@ -1,11 +1,25 @@
#F EADL97_BindingEnergies.dat
-#U00 This file is a conversion to specfile format of
-#U01 directly extracted EADL97 Binding energies.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLBindingEnergies.py
+#U00 This file is a conversion to specfile format of
+#U01 directly extracted EADL97 binding energiess
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLBindingEnergies.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 Binding energies in keV
#N 40
diff --git a/fisx_data/EADL97_KShellConstants.dat b/fisx_data/EADL97_KShellConstants.dat
index 8ada5dd..d3d7534 100644
--- a/fisx_data/EADL97_KShellConstants.dat
+++ b/fisx_data/EADL97_KShellConstants.dat
@@ -1,11 +1,25 @@
#F EADL97_KShellConstants.dat
-#U00 This file is a conversion to specfile format of
+#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 Shell constants.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellConstants.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellConstants.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 K Shell Fluorescence Yields
#N 2
diff --git a/fisx_data/EADL97_KShellNonradiativeRates.dat b/fisx_data/EADL97_KShellNonradiativeRates.dat
index 98ef32b..629847c 100644
--- a/fisx_data/EADL97_KShellNonradiativeRates.dat
+++ b/fisx_data/EADL97_KShellNonradiativeRates.dat
@@ -1,11 +1,25 @@
#F EADL97_KShellNonradiativeRates.dat
-#U00 This file is a conversion to specfile format of
-#U01 directly extracted EADL97 nonradiative transition probabilities.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellNonradiativeRates.py
+#U00 This file is a conversion to specfile format of
+#U01 directly extracted EADL97 nonradiative transition probabilities
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellNonradiativeRates.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 K-Shell nonradiative rates
#N 306
diff --git a/fisx_data/EADL97_KShellRadiativeRates.dat b/fisx_data/EADL97_KShellRadiativeRates.dat
index 1336fd1..bac8209 100644
--- a/fisx_data/EADL97_KShellRadiativeRates.dat
+++ b/fisx_data/EADL97_KShellRadiativeRates.dat
@@ -1,11 +1,25 @@
#F EADL97_KShellRadiativeRates.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 radiative transition probabilities.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellRadiativeRates.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellRadiativeRates.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 K emission rates
#N 40
diff --git a/fisx_data/EADL97_LShellConstants.dat b/fisx_data/EADL97_LShellConstants.dat
index 9114859..fda9363 100644
--- a/fisx_data/EADL97_LShellConstants.dat
+++ b/fisx_data/EADL97_LShellConstants.dat
@@ -1,11 +1,25 @@
#F EADL97_LShellConstants.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 Shell constants.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellConstants.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellConstants.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 L1 x-ray data
#N 4
diff --git a/fisx_data/EADL97_LShellNonradiativeRates.dat b/fisx_data/EADL97_LShellNonradiativeRates.dat
index f0b3c3d..74de4c2 100644
--- a/fisx_data/EADL97_LShellNonradiativeRates.dat
+++ b/fisx_data/EADL97_LShellNonradiativeRates.dat
@@ -1,11 +1,25 @@
#F EADL97_LShellNonradiativeRates.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 nonradiative transition probabilities.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellNonradiativeRates.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellNonradiativeRates.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 L1-Shell nonradiative rates
#N 261
diff --git a/fisx_data/EADL97_LShellRadiativeRates.dat b/fisx_data/EADL97_LShellRadiativeRates.dat
index 6f00080..4f0c487 100644
--- a/fisx_data/EADL97_LShellRadiativeRates.dat
+++ b/fisx_data/EADL97_LShellRadiativeRates.dat
@@ -1,11 +1,25 @@
#F EADL97_LShellRadiativeRates.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 radiative transition probabilities.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellRadiativeRates.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellRadiativeRates.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 L1 emission rates
#N 40
diff --git a/fisx_data/EADL97_MShellConstants.dat b/fisx_data/EADL97_MShellConstants.dat
index 572027f..a479041 100644
--- a/fisx_data/EADL97_MShellConstants.dat
+++ b/fisx_data/EADL97_MShellConstants.dat
@@ -1,11 +1,25 @@
#F EADL97_MShellConstants.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 Shell constants.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellConstants.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellConstants.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 M1 x-ray data
#N 6
diff --git a/fisx_data/EADL97_MShellNonradiativeRates.dat b/fisx_data/EADL97_MShellNonradiativeRates.dat
index bfe68ac..84b934f 100644
--- a/fisx_data/EADL97_MShellNonradiativeRates.dat
+++ b/fisx_data/EADL97_MShellNonradiativeRates.dat
@@ -1,11 +1,25 @@
#F EADL97_MShellNonradiativeRates.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 nonradiative transition probabilities.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellNonradiativeRates.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellNonradiativeRates.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 M1-Shell nonradiative rates
#N 138
diff --git a/fisx_data/EADL97_MShellRadiativeRates.dat b/fisx_data/EADL97_MShellRadiativeRates.dat
index 58635c0..229bd5f 100644
--- a/fisx_data/EADL97_MShellRadiativeRates.dat
+++ b/fisx_data/EADL97_MShellRadiativeRates.dat
@@ -1,11 +1,25 @@
#F EADL97_MShellRadiativeRates.dat
#U00 This file is a conversion to specfile format of
#U01 directly extracted EADL97 radiative transition probabilities.
-#U02 EADL itself can be found at:
-#U03 http://www-nds.iaea.org/epdl97/libsall.htm
-#U04 The code used to generate this file has been:
-#U05 GenerateEADLShellRadiativeRates.py
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
#U06
+#U07 EADL itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEADLShellRadiativeRates.py
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, et al., "Tables and Graphs of Atomic Subshell and
+#U14 Relaxation Data Derived from the LLNL Evaluated Atomic Data Library
+#U15 (EADL), Z = 1 - 100," Lawrence Livermore National Laboratory, UCRL-50400,
+#U16 Vol. 30, October 1991
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 M1 emission rates
#N 40
diff --git a/fisx_data/EPDL97_CrossSections.dat b/fisx_data/EPDL97_CrossSections.dat
index 0866b52..6448742 100644
--- a/fisx_data/EPDL97_CrossSections.dat
+++ b/fisx_data/EPDL97_CrossSections.dat
@@ -1,12 +1,25 @@
#F EPDL97_CrossSections.dat
#U00 This file is a direct conversion to specfile format of
-#U01 the original EPDL97 photoelectric cross sections contained
-#U02 in the EPDL97.DAT file from the library.
-#U03 EPDL97 itself can be found at:
-#U04 http://www-nds.iaea.org/epdl97/libsall.htm
-#U05
-#U06 The command used to generate this file has been:
-#U07 GenerateEPDL97CrossSections.py EPDL97_CrossSections.dat 0 1
+#U01 the original EPDL97 cross sections contained
+#U02 in the EPDL97.DAT file from the library
+#U02 to simplify its use with the fisx and PyMca software packages.
+#U03
+#U04 Neither those packages or their author(s) claim any ownership of
+#U05 the data and they do not warrant the integrity of the data following
+#U07 the conversion process.
+#U06
+#U07 EPDL97 itself can be found at:
+#U08 http://www-nds.iaea.org/epdl97/libsall.htm
+#U09 The code used to generate this file has been:
+#U10 GenerateEPDL97CrossSections.py EPDL97_CrossSections.dat 0 1
+#U11
+#U12 The proper way to quote these data is:
+#U13 D.E. Cullen, J.H. Hubbel, L. Kissel, "EPDL97: the Evaluated Photon
+#U14 Data Libray, '97 Version" Lawrence Livermore National Laboratory,
+#U15 UCRL-50400, Vol. 6, Rev. 5, 1997.
+#U17 The author of these data, D.E. Cullen, has stated that redistribution of the
+#U18 data is permitted provided the previous credits are maintained.
+#U19
#S 1 H
#N 16
diff --git a/fisx_data/KShellConstants.dat b/fisx_data/KShellConstants.dat
index 2489448..950dd78 100644
--- a/fisx_data/KShellConstants.dat
+++ b/fisx_data/KShellConstants.dat
@@ -1,3 +1,14 @@
+#F K Shell Constants
+#U00
+#U01 These fluorescence yields have been generated using the semiempirical
+#U02 formula of W. Bambynek:
+#U03
+#U03 W. Bambynek, Proc. Conf. on X-ra and Inner Shell Processes in Atoms,
+#U04 Molecules and Solids, Aug. 20-24, Leipzig, Germany, 1984.
+#U05
+#U06 The generated values are in good agreement with the theoretical values
+#U07 published by Chen et al. in Phys. Rev. A 21 (1980) 436-441.
+#U08
#S 1 K Shell Fluorescence Yields
#N 2
diff --git a/fisx_data/KShellRates.dat b/fisx_data/KShellRates.dat
index 57886ff..0702a8e 100644
--- a/fisx_data/KShellRates.dat
+++ b/fisx_data/KShellRates.dat
@@ -1,3 +1,14 @@
+#F KShellRates.dat
+#U00
+#U01 Adaptation from table I of the reference:
+#U02
+#U03 J.H. Scofield, "Exchange Corrections of K X-ray Emission
+#U04 Rates", Physical Review A 9 (1974) 1041 - 1049
+#U05
+#U06 The TOTAL column is taken from the reference. The individual
+#U07 shells of the reference are divided by the total in order to
+#U08 directly get probabilities and missing data are interpolated.
+#U09
#S 1 K x-ray emission rates
#N 10
diff --git a/fisx_data/KShellRatesScofieldHS.dat b/fisx_data/KShellRatesScofieldHS.dat
new file mode 100644
index 0000000..9dc7145
--- /dev/null
+++ b/fisx_data/KShellRatesScofieldHS.dat
@@ -0,0 +1,124 @@
+#U00
+#U01 Adaptation from table II of the reference:
+#U02
+#U03 J.H. Scofield, "Relativistic Hartree-Slater Values for
+#U04 K and L X-ray Emission Rates", Atomic Data and Nuclear
+#U05 Data Tables 14 (1964) 121 - 137
+#U06
+#U07 The TOTAL column is taken from the reference. The individual
+#U08 shells of the reference are divided by the total in order to
+#U09 directly get probabilities and missing values are interpolated.
+#U10
+
+#S1 K x-ray emission rates
+#N 17
+#L Z TOTAL KL1 KL2 KL3 KM1 KM2 KM3 KM4 KM5 KN1 KN2 KN3 KN45 KO23 KO45 KP23
+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+5 1.949e-005 9.9538e-011 0.33299 0.66701 0 0 0 0 0 0 0 0 0 0 0 0
+6 0.0001033 1.4521e-010 0.33398 0.66602 0 0 0 0 0 0 0 0 0 0 0 0
+7 0.0003305 2.4327e-010 0.33404 0.66596 0 0 0 0 0 0 0 0 0 0 0 0
+8 0.0008232 4.0816e-010 0.33431 0.66569 0 0 0 0 0 0 0 0 0 0 0 0
+9 0.001758 6.6553e-010 0.33447 0.66553 0 0 0 0 0 0 0 0 0 0 0 0
+10 0.00337 1.0534e-009 0.33472 0.66528 0 0 0 0 0 0 0 0 0 0 0 0
+11 0.005756 1.7894e-009 0.33461 0.66539 3.1619e-011 0 0 0 0 0 0 0 0 0 0 0
+12 0.00911 2.9857e-009 0.3348 0.6652 1.7673e-010 0 0 0 0 0 0 0 0 0 0 0
+13 0.013824 4.8033e-009 0.33276 0.66117 4.1305e-010 0.0020327 0.0040365 0 0 0 0 0 0 0 0 0
+14 0.020239 7.4607e-009 0.32956 0.65368 7.7078e-010 0.0056178 0.011147 0 0 0 0 0 0 0 0 0
+15 0.028752 1.1164e-008 0.3252 0.64483 1.3077e-009 0.010048 0.019929 0 0 0 0 0 0 0 0 0
+16 0.039804 1.6355e-008 0.32057 0.63486 2.0852e-009 0.014948 0.02962 0 0 0 0 0 0 0 0 0
+17 0.053952 2.3354e-008 0.31547 0.62463 3.1695e-009 0.02011 0.039795 0 0 0 0 0 0 0 0 0
+18 0.071682 3.2644e-008 0.31054 0.61382 4.6874e-009 0.025418 0.050222 0 0 0 0 0 0 0 0 0
+19 0.093274 4.5029e-008 0.30695 0.60574 7.0759e-009 0.029311 0.058001 0 0 1.7583e-010 0 0 0 0 0 0
+20 0.11939 6.1312e-008 0.30405 0.59972 1.0386e-008 0.032331 0.063908 0 0 8.1414e-010 0 0 0 0 0 0
+21 0.15004 8.2644e-008 0.30325 0.59717 1.4463e-008 0.033458 0.066116 1.053e-006 1.5529e-006 1.1397e-009 0 0 0 0 0 0
+22 0.18598 1.1023e-007 0.30272 0.59522 1.9841e-008 0.034305 0.067749 2.7637e-006 4.0649e-006 1.5324e-009 0 0 0 0 0 0
+23 0.228 1.4473e-007 0.30219 0.59385 2.6622e-008 0.034956 0.06899 5.2192e-006 7.6753e-006 2e-009 0 0 0 0 0 0
+24 0.27603 1.8875e-007 0.30251 0.59415 3.4743e-008 0.034779 0.068544 9.2745e-006 1.3549e-005 9.6368e-010 0 0 0 0 0 0
+25 0.33189 2.4285e-007 0.30221 0.59086 4.61e-008 0.036006 0.070897 1.2685e-005 1.841e-005 3.2541e-009 0 0 0 0 0 0
+26 0.39641 3.1029e-007 0.30171 0.59055 5.9282e-008 0.036301 0.071391 1.786e-005 2.5983e-005 4.0363e-009 0 0 0 0 0 0
+27 0.46901 3.9019e-007 0.3017 0.58976 7.5692e-008 0.036631 0.071854 2.4093e-005 3.5181e-005 5.0106e-009 0 0 0 0 0 0
+28 0.55147 4.896e-007 0.30137 0.58933 9.5562e-008 0.036865 0.072352 3.1552e-005 4.5877e-005 6.1109e-009 0 0 0 0 0 0
+29 0.64291 6.1129e-007 0.30207 0.58951 1.1884e-007 0.036615 0.071706 4.1375e-005 5.9729e-005 2.7998e-009 0 0 0 0 0 0
+30 0.74686 7.5382e-007 0.3018 0.58779 1.4862e-007 0.037316 0.072972 5.0478e-005 7.2972e-005 8.9575e-009 0 0 0 0 0 0
+31 0.86417 9.2227e-007 0.30121 0.58553 1.863e-007 0.038071 0.074406 6.052e-005 8.7367e-005 1.4696e-008 0.00021709 0.00041427 0 0 0 0
+32 0.99511 1.1255e-006 0.30047 0.58285 2.3012e-007 0.03879 0.075871 7.1248e-005 0.0001028 2.1204e-008 0.00063309 0.0012149 0 0 0 0
+33 1.1427 1.3565e-006 0.2993 0.58023 2.8355e-007 0.039557 0.077188 8.2702e-005 0.00011911 2.923e-008 0.0012051 0.0023174 0 0 0 0
+34 1.3049 1.6246e-006 0.29811 0.57706 3.4639e-007 0.04031 0.078703 9.495e-005 0.00013656 3.9083e-008 0.0019113 0.0036784 0 0 0 0
+35 1.487 1.9368e-006 0.29725 0.57365 4.2166e-007 0.040956 0.079894 0.00010774 0.00015468 5.1111e-008 0.0027304 0.005259 0 0 0 0
+36 1.6866 2.3004e-006 0.29585 0.57036 5.0989e-007 0.041621 0.081167 0.00012131 0.00017378 6.5811e-008 0.0036582 0.0070377 0 0 0 0
+37 1.9058 2.7233e-006 0.29489 0.56721 6.1391e-007 0.042239 0.08238 0.00013574 0.00019414 8.6578e-008 0.0044023 0.0085423 0 0 0 0
+38 2.1441 3.2089e-006 0.29384 0.56435 7.3692e-007 0.042909 0.083627 0.00015112 0.00021548 1.1287e-007 0.0050605 0.0098458 0 0 0 0
+39 2.4048 3.7716e-006 0.29316 0.5618 8.7742e-007 0.043538 0.084789 0.00016717 0.00023786 1.4263e-007 0.0055348 0.010766 2.3786e-006 0 0 0
+40 2.6879 4.4272e-006 0.29242 0.55954 1.0417e-006 0.044123 0.08594 0.00018416 0.00026154 1.7709e-007 0.0059488 0.01157 6.2502e-006 0 0 0
+41 2.994 5.1437e-006 0.29192 0.55746 1.2325e-006 0.044724 0.087076 0.00020174 0.00028558 2.1577e-007 0.0062225 0.012091 1.3861e-005 0 0 0
+42 3.3277 5.9801e-006 0.29149 0.55534 1.4545e-006 0.045257 0.088079 0.00021967 0.00031073 2.6265e-007 0.0065571 0.012712 2.1186e-005 0 0 0
+43 3.6865 6.9171e-006 0.29106 0.55337 1.7062e-006 0.045789 0.088973 0.00023871 0.00033691 3.1737e-007 0.006871 0.013319 3.0273e-005 0 0 0
+44 4.0749 8.0002e-006 0.29056 0.55142 1.9951e-006 0.046259 0.090063 0.00025841 0.00036369 3.8038e-007 0.007156 0.013865 4.1179e-005 0 0 0
+45 4.4921 9.1939e-006 0.29029 0.54963 2.3152e-006 0.046749 0.090826 0.00027893 0.00039135 4.519e-007 0.007413 0.014359 5.4073e-005 0 0 0
+46 4.9403 1.0566e-005 0.29006 0.54795 2.6922e-006 0.047204 0.091695 0.00029998 0.00041981 5.3236e-007 0.0076109 0.014675 7.1049e-005 0 0 0
+47 5.4224 1.2098e-005 0.28972 0.54606 3.1167e-006 0.047617 0.092578 0.00032181 0.00044906 6.3071e-007 0.0078931 0.015251 8.6308e-005 0 0 0
+48 5.9368 1.3829e-005 0.28955 0.54406 3.6046e-006 0.048039 0.093316 0.00034446 0.00047938 7.4619e-007 0.0082199 0.015867 0.00010224 0 0 0
+49 6.4922 1.5742e-005 0.28927 0.54219 4.1434e-006 0.048366 0.093959 0.00036752 0.00050984 8.7798e-007 0.0085179 0.016481 0.00011953 0.00019901 0 0
+50 7.0894 1.7872e-005 0.28874 0.54024 4.7535e-006 0.048805 0.094648 0.00039114 0.00054165 1.0283e-006 0.00883 0.017082 0.00013739 0.00056281 0 0
+51 7.7262 2.0256e-005 0.28837 0.53843 5.436e-006 0.049054 0.095131 0.00041547 0.00057337 1.2011e-006 0.0091248 0.017667 0.00015622 0.0010574 0 0
+52 8.3971 2.2925e-005 0.2882 0.5359 6.2165e-006 0.049422 0.095867 0.00044063 0.00060617 1.4053e-006 0.00942 0.018268 0.0001759 0.0016708 0 0
+53 9.1212 2.5863e-005 0.28779 0.53392 7.0715e-006 0.049665 0.096369 0.00046595 0.00063917 1.6226e-006 0.0097027 0.018824 0.00019603 0.0023879 0 0
+54 9.89 2.912e-005 0.28736 0.53185 8.0182e-006 0.04995 0.096866 0.00049242 0.00067341 1.8807e-006 0.0099697 0.019373 0.00021709 0.0032053 0 0
+55 10.71 3.2678e-005 0.28664 0.53032 9.0846e-006 0.050231 0.097288 0.00051912 0.00070772 2.1661e-006 0.010233 0.019896 0.00023902 0.003884 0 0
+56 11.574 3.6719e-005 0.28684 0.52789 1.0273e-005 0.050456 0.097803 0.0005469 0.00074302 2.4883e-006 0.010497 0.020433 0.00026179 0.0044754 0 0
+57 12.489 4.1158e-005 0.28666 0.52608 1.1595e-005 0.050687 0.09825 0.00057573 0.00077912 2.8586e-006 0.010754 0.020947 0.00028586 0.0049165 2.2901e-006 0
+58 13.438 4.6137e-005 0.28649 0.52536 1.3089e-005 0.051048 0.098896 0.00060722 0.00081781 3.2296e-006 0.01082 0.021037 0.00029914 0.0045541 0 0
+59 14.457 1.003e-005 0.28706 0.52363 1.472e-005 0.051325 0.09933 0.00063776 0.00085634 3.6591e-006 0.01095 0.021305 0.00031819 0.0045653 0 0
+60 15.519 5.7544e-005 0.28675 0.5226 1.6542e-005 0.051616 0.099881 0.00066952 0.0008957 4.137e-006 0.011077 0.021523 0.00033702 0.0045687 0 0
+61 16.642 6.4115e-005 0.28723 0.52097 1.8568e-005 0.051857 0.10035 0.00070184 0.00093559 4.6629e-006 0.011195 0.021752 0.00035573 0.0045668 0 0
+62 17.828 7.1346e-005 0.28718 0.51995 2.0753e-005 0.052108 0.10079 0.00073422 0.0009754 5.2444e-006 0.011302 0.021931 0.00037468 0.0045489 0 0
+63 19.069 7.9293e-005 0.28738 0.51866 2.3232e-005 0.052338 0.10127 0.00076828 0.0010163 5.8893e-006 0.011401 0.022131 0.00039437 0.0045363 0 0
+64 20.383 8.7965e-005 0.28749 0.5171 2.5904e-005 0.052544 0.10165 0.00080165 0.0010563 6.6232e-006 0.011549 0.022421 0.000418 0.0048423 2.5266e-006 0
+65 21.75 9.7563e-005 0.28781 0.51632 2.8873e-005 0.052781 0.10207 0.00083724 0.0010988 7.3793e-006 0.011582 0.022437 0.00043356 0.0044965 0 0
+66 23.184 0.00010805 0.28813 0.51501 3.2134e-005 0.053011 0.10248 0.00087302 0.0011409 8.2428e-006 0.011672 0.022602 0.00045376 0.0044729 0 0
+67 24.703 0.00011946 0.28863 0.5137 3.5704e-005 0.053191 0.10282 0.00090878 0.0011824 9.185e-006 0.011743 0.02275 0.00047362 0.0044447 0 0
+68 26.278 0.00013205 0.28883 0.5126 3.9615e-005 0.053391 0.1032 0.00094528 0.0012254 1.0225e-005 0.011835 0.022871 0.00049395 0.0044219 0 0
+69 27.928 0.00014573 0.28932 0.51132 4.3935e-005 0.053567 0.10355 0.0009829 0.0012676 1.1351e-005 0.011888 0.022988 0.00051454 0.0043971 0 0
+70 29.656 0.00016051 0.28965 0.51018 4.8624e-005 0.053749 0.10386 0.0010217 0.0013117 1.2611e-005 0.01197 0.023132 0.00053547 0.0043701 0 0
+71 31.466 0.0001767 0.28983 0.5088 5.374e-005 0.053899 0.10424 0.0010583 0.0013538 1.4015e-005 0.012045 0.023327 0.00055997 0.0046367 2.4439e-006 0
+72 33.358 0.00019455 0.29018 0.50752 5.9326e-005 0.054049 0.10432 0.0010972 0.001397 1.5558e-005 0.012141 0.023532 0.00058546 0.0048983 6.2863e-006 0
+73 35.342 0.00021363 0.29031 0.5062 6.5419e-005 0.054157 0.10469 0.0011346 0.0014374 1.726e-005 0.012252 0.02374 0.00061174 0.0051554 1.1431e-005 0
+74 37.396 0.00021847 0.29067 0.50487 7.2067e-005 0.054284 0.10482 0.0011739 0.0014815 1.912e-005 0.012354 0.02396 0.00063938 0.0054097 1.7916e-005 0
+75 39.552 0.00025738 0.29101 0.50338 7.9388e-005 0.054383 0.10518 0.0012136 0.001522 2.1136e-005 0.012439 0.02417 0.00066722 0.0056558 2.5738e-005 0
+76 41.793 0.00028186 0.29144 0.502 8.7096e-005 0.054507 0.10528 0.0012514 0.0015649 2.3377e-005 0.012538 0.024406 0.00069581 0.0058981 3.4982e-005 0
+77 44.121 0.0003087 0.2917 0.50067 9.5646e-005 0.0546 0.10562 0.0012919 0.0016069 2.5838e-005 0.012647 0.024637 0.00072528 0.0060243 5.1291e-005 0
+78 46.547 0.00033794 0.29218 0.49928 0.00010506 0.054676 0.1057 0.001332 0.0016478 2.8509e-005 0.01274 0.024857 0.00075408 0.006299 6.1229e-005 0
+79 49.076 0.00036943 0.29261 0.4978 0.00011513 0.054752 0.10596 0.0013734 0.0016892 3.1441e-005 0.012837 0.025084 0.0007845 0.0065205 7.4986e-005 0
+80 51.691 0.00040355 0.29289 0.49641 0.00012613 0.054845 0.10621 0.0014142 0.0017314 3.4648e-005 0.012923 0.025323 0.00081638 0.0067903 8.6668e-005 0
+81 54.416 0.00044068 0.2933 0.49489 0.00013819 0.05491 0.1064 0.0014555 0.0017715 3.815e-005 0.013029 0.025544 0.00084718 0.0070751 9.9419e-005 6.2114e-005
+82 57.258 0.00048063 0.29376 0.49338 0.00015107 0.054962 0.10654 0.0014985 0.0018128 4.1951e-005 0.013099 0.025761 0.00088023 0.0073527 0.0001123 0.00017343
+83 60.2 0.00052492 0.29419 0.49186 0.00016512 0.055 0.10665 0.0015399 0.0018538 4.6097e-005 0.013189 0.02598 0.00091197 0.0076412 0.00012542 0.00032459
+84 63.239 0.00057085 0.29459 0.49036 0.00018043 0.055045 0.10674 0.0015813 0.0018944 5.0601e-005 0.013267 0.026202 0.00094403 0.0079223 0.00013884 0.00051234
+85 66.41 0.00062189 0.29499 0.48878 0.00019681 0.055082 0.10691 0.0016248 0.0019334 5.5564e-005 0.013341 0.026412 0.00097726 0.0081915 0.00015224 0.00073182
+86 69.692 0.00067727 0.29544 0.48715 0.00021466 0.0551 0.10704 0.0016673 0.0019715 6.0839e-005 0.013416 0.026632 0.0010102 0.0084659 0.00016602 0.00098434
+87 73.088 0.0007361 0.29594 0.48558 0.00023396 0.055111 0.10713 0.0017089 0.0020113 6.6769e-005 0.013491 0.026844 0.0010439 0.0087292 0.00018019 0.0011931
+88 76.582 0.00080045 0.29642 0.48406 0.00025489 0.055131 0.10721 0.0017524 0.0020501 7.2994e-005 0.013554 0.027056 0.0010786 0.0089969 0.00019496 0.0013763
+89 80.213 0.00087019 0.29696 0.48247 0.00027751 0.055128 0.10734 0.0017965 0.0020882 7.9913e-005 0.013614 0.027265 0.0011133 0.0092629 0.00020982 0.0015272
+90 83.972 0.00094555 0.29748 0.48087 0.00030189 0.055113 0.10754 0.0018399 0.0021245 8.741e-005 0.013671 0.027473 0.0011468 0.009515 0.00022484 0.0016684
+91 87.81 0.0010272 0.29814 0.47944 0.00032855 0.05513 0.10762 0.0018848 0.0021626 9.5547e-005 0.013734 0.027685 0.0011821 0.0097028 0.00023528 0.001624
+92 91.782 0.0011146 0.29875 0.47798 0.00035737 0.05512 0.10776 0.0019285 0.0021998 0.00010438 0.013783 0.027881 0.001217 0.0099039 0.00024776 0.0016583
+93 95.895 0.0012097 0.29939 0.47646 0.00038792 0.055102 0.10793 0.001973 0.0022358 0.00011387 0.013828 0.028083 0.0012514 0.010094 0.00026007 0.0016873
+94 100.1 0.0013138 0.30011 0.47505 0.0004216 0.055088 0.108 0.0020181 0.0022718 0.00012428 0.013877 0.028293 0.0012868 0.01025 0.00027054 0.0016245
+95 104.45 0.0014245 0.3008 0.47351 0.00045857 0.055057 0.10818 0.0020631 0.0023072 0.00013556 0.01391 0.028481 0.0013221 0.010426 0.00028261 0.0016438
+96 108.94 0.0015449 0.30155 0.47193 0.00049754 0.055014 0.10823 0.0021076 0.0023408 0.0001477 0.013944 0.028677 0.0013568 0.010621 0.0002965 0.0017487
+97 113.56 0.0016741 0.30223 0.47043 0.00053982 0.054951 0.1084 0.0021531 0.0023742 0.00016089 0.013975 0.028867 0.0013923 0.010779 0.00030822 0.001763
+98 118.28 0.0018152 0.30309 0.46897 0.00058589 0.054903 0.10847 0.0021982 0.0024078 0.00017526 0.014001 0.029049 0.0014271 0.010906 0.00031873 0.0016824
+99 123.16 0.0019666 0.30392 0.46736 0.00063495 0.054823 0.10864 0.0022434 0.0024359 0.00019065 0.014014 0.029239 0.0014623 0.011051 0.00033047 0.0016913
+100 128.15 0.0021311 0.30472 0.46586 0.00068826 0.054749 0.1087 0.0022887 0.0024737 0.00020741 0.014031 0.029419 0.0014967 0.01119 0.00034179 0.001698
+101 133.3 0.0023106 0.30555 0.46429 0.00074643 0.054651 0.10885 0.0023331 0.0024981 0.0002258 0.014036 0.029595 0.0015311 0.011328 0.00035409 0.0017029
+102 138.56 0.0024971 0.30651 0.46268 0.00080903 0.054546 0.10891 0.0023816 0.002526 0.00024538 0.014037 0.02977 0.0015654 0.011453 0.00036518 0.0017068
+103 143.98 0.0027087 0.30733 0.46103 0.0008765 0.054416 0.10904 0.0024239 0.0025559 0.0002667 0.014029 0.029941 0.0015995 0.011599 0.00037852 0.0018058
+104 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011
+105 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011
+106 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011
+107 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011
+108 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011
+109 149.54 0.0029289 0.3082 0.4594 0.00094888 0.054272 0.10913 0.0024675 0.0025812 0.00028955 0.014009 0.030111 0.001633 0.011736 0.00039253 0.0019011
diff --git a/fisx_data/LShellRates.dat b/fisx_data/LShellRates.dat
index 20363ce..c200a7b 100644
--- a/fisx_data/LShellRates.dat
+++ b/fisx_data/LShellRates.dat
@@ -1,3 +1,15 @@
+#F LShellRates.dat
+#U00
+#U01 Adaptation from tables of the reference:
+#U02
+#U03 J.H. Scofield, "Relativistic Hartree-Slater Values for
+#U04 K and L X-ray Emission Rates", Atomic Data and Nuclear
+#U05 Data Tables 14 (1964) 121 - 137
+#U06
+#U07 The TOTAL column is taken from the reference. The individual
+#U08 shells of the reference are divided by the total in order to
+#U09 directly get probabilities and missing values are interpolated.
+#U10
#S 1 L1 x-ray emission rates
#N 20
diff --git a/fisx_data/MShellRates.dat b/fisx_data/MShellRates.dat
index 85b79ca..706126b 100644
--- a/fisx_data/MShellRates.dat
+++ b/fisx_data/MShellRates.dat
@@ -1,3 +1,11 @@
+#F MShellRates.dat
+#U00
+#U01 Table generated from data available in the reference:
+#U02 C.P. Bahlla, "Radiative Transition Probabilities for Vacancies
+#U03 in M sub-shells". J. Phys. B: Atom. Molec. Phys. 3 (1970) 916-924.
+#U04
+#U05 Data are written in form of probabilities and missing values are interpolated.
+#U06
#S 1 M1 emission rates
#N 20
diff --git a/fisx_data/XCOM_CrossSections.dat b/fisx_data/XCOM_CrossSections.dat
index 17ff8cc..7b286a7 100644
--- a/fisx_data/XCOM_CrossSections.dat
+++ b/fisx_data/XCOM_CrossSections.dat
@@ -4,6 +4,12 @@
#U02
#U03 XCOM itself can be found at:
#U04 http://www.nist.gov/pml/data/xcom/index.cfm
+#U05
+#U06 The original XCOM reference is:
+#U07 M.J. Berger and J.H. Hubbel referene, "XCOM: Photon cross sections
+#U08 on a personal computer", US Department of Commerce, National Bureau
+#U09 of Standards NDSIR (1987) 87-3597
+#U07
#S 1 H
#N 7
diff --git a/python/fisx.egg-info/PKG-INFO b/python/fisx.egg-info/PKG-INFO
index 5a1413f..e3ef442 100644
--- a/python/fisx.egg-info/PKG-INFO
+++ b/python/fisx.egg-info/PKG-INFO
@@ -1,12 +1,12 @@
Metadata-Version: 1.1
Name: fisx
-Version: 1.0.7
+Version: 1.0.8
Summary: Quantitative X-Ray Fluorescence Analysis Support Library
Home-page: https://github.com/vasole/fisx
Author: V. Armando Solé
Author-email: sole at esrf.fr
License: MIT
-Download-URL: https://github.com/vasole/fisx/archive/v1.0.7.tar.gz
+Download-URL: https://github.com/vasole/fisx/archive/v1.0.8.tar.gz
Description: ====
fisx
====
@@ -21,7 +21,7 @@ Description: ====
This software library implements formulas to calculate, given an experimental setup, the expected x-ray fluorescence intensities. The library accounts for secondary and tertiary excitation, K, L and M shell emission lines and de-excitation cascade effects. The basic implementation is written in C++ and a Python binding is provided.
- Account for scondary excitation is made via the reference:
+ Account for secondary excitation is made via the reference:
D.K.G. de Boer, X-Ray Spectrometry 19 (1990) 145-154
diff --git a/python/fisx.egg-info/SOURCES.txt b/python/fisx.egg-info/SOURCES.txt
index 60b8d74..9d5aa46 100644
--- a/python/fisx.egg-info/SOURCES.txt
+++ b/python/fisx.egg-info/SOURCES.txt
@@ -34,6 +34,7 @@ fisx_data/EADL97_MShellRadiativeRates.dat
fisx_data/EPDL97_CrossSections.dat
fisx_data/KShellConstants.dat
fisx_data/KShellRates.dat
+fisx_data/KShellRatesScofieldHS.dat
fisx_data/LShellConstants.dat
fisx_data/LShellRates.dat
fisx_data/MShellConstants.dat
diff --git a/python/fisx/DataDir.py b/python/fisx/DataDir.py
index a67f15d..16ee9a5 100644
--- a/python/fisx/DataDir.py
+++ b/python/fisx/DataDir.py
@@ -28,7 +28,7 @@
import os
# this will be filled by the setup
FISX_DATA_DIR = 'DATA_DIR_FROM_SETUP'
-# This is to be filled by the setup
+# this is to be filled by the setup
FISX_DOC_DIR = 'DOC_DIR_FROM_SETUP'
# what follows is only used in frozen versions
if not os.path.exists(FISX_DATA_DIR):
@@ -45,9 +45,9 @@ if not os.path.exists(FISX_DATA_DIR):
# this is used in build directory
if not os.path.exists(FISX_DATA_DIR):
- tmp_dir = os.path.dirname(__file__)
+ tmp_dir = os.path.dirname(os.path.abspath(__file__))
old_tmp_dir = tmp_dir + "dummy"
- basename = os.path.basename(FISX_DATA_DIR)
+ basename = "fisx_data"
FISX_DATA_DIR = os.path.join(tmp_dir, "fisx", basename)
while (len(FISX_DATA_DIR) > 14) and (tmp_dir != old_tmp_dir):
if os.path.exists(FISX_DATA_DIR):
@@ -57,7 +57,16 @@ if not os.path.exists(FISX_DATA_DIR):
FISX_DATA_DIR = os.path.join(tmp_dir, "fisx", basename)
if not os.path.exists(FISX_DATA_DIR):
- raise IOError('%s directory not found' % basename)
+ FISX_DATA_DIR = os.getenv("FISX_DATA_DIR")
+ if FISX_DATA_DIR is not None:
+ if not os.path.exists(FISX_DATA_DIR):
+ raise IOError('%s directory set from environent not found' % FISX_DATA_DIR)
+ else:
+ txt = "WARNING: Taking FISX_DATA_DIR from environement.\n"
+ txt += "Use it at your own risk."
+ print(txt)
+ else:
+ raise IOError('%s directory not found' % basename)
# do the same for the directory containing HTML files
if not os.path.exists(FISX_DOC_DIR):
@@ -71,13 +80,11 @@ if not os.path.exists(FISX_DOC_DIR):
old_tmp_dir = tmp_dir
tmp_dir = os.path.dirname(tmp_dir)
FISX_DOC_DIR = os.path.join(tmp_dir, basename)
-if not os.path.exists(FISX_DOC_DIR):
- raise IOError('%s directory not found' % basename)
if not os.path.exists(FISX_DOC_DIR):
- tmp_dir = os.path.dirname(__file__)
+ tmp_dir = os.path.dirname(os.path.abspath(__file__))
old_tmp_dir = tmp_dir + "dummy"
- basename = os.path.basename(FISX_DOC_DIR)
+ basename = "fisx_data"
FISX_DOC_DIR = os.path.join(tmp_dir,basename)
while (len(FISX_DOC_DIR) > 14) and (tmp_dir != old_tmp_dir):
if os.path.exists(FISX_DOC_DIR):
@@ -85,5 +92,12 @@ if not os.path.exists(FISX_DOC_DIR):
old_tmp_dir = tmp_dir
tmp_dir = os.path.dirname(tmp_dir)
FISX_DOC_DIR = os.path.join(tmp_dir, "fisx", basename)
+
if not os.path.exists(FISX_DOC_DIR):
- raise IOError('%s directory not found' % basename)
+ FISX_DOC_DIR = os.getenv("FISX_DOC_DIR")
+ if FISX_DOC_DIR is not None:
+ if not os.path.exists(FISX_DOC_DIR):
+ raise IOError('%s directory not found' % basename)
+ else:
+ # use the data dir as doc dir
+ FISX_DOC_DIR = FISX_DATA_DIR
diff --git a/src/fisx_version.h b/src/fisx_version.h
index bbd7ff0..7e6835e 100644
--- a/src/fisx_version.h
+++ b/src/fisx_version.h
@@ -29,7 +29,7 @@
#define FISX_VERSION_H
#include <string>
-#define FISX_VERSION_STR "1.0.7"
+#define FISX_VERSION_STR "1.0.8"
namespace fisx
{
--
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