From 492efd52126a0874c9fb17fe45daee300bc40443 Mon Sep 17 00:00:00 2001 From: Matthew Newville Date: Sun, 5 Nov 2023 11:54:21 -0600 Subject: [PATCH] some doc updates --- doc/index.rst | 47 +++++++++++++++++++++++-------------------- doc/periodictable.rst | 2 +- poster/README | 14 +++++++------ 3 files changed, 34 insertions(+), 29 deletions(-) diff --git a/doc/index.rst b/doc/index.rst index 029e50e..be7dd6e 100644 --- a/doc/index.rst +++ b/doc/index.rst @@ -10,33 +10,25 @@ X-ray DB: X-ray Reference Data in SQLite .. _XrayDB Web App (CARS, U Chicago): https://millenia.cars.aps.anl.gov/xraydb XrayDB provides atomic data, characteristic X-ray energies, and X-ray cross -sections for the elements in an SQLite3 database, ``xraydb.sqlite``. This -file can be used directly with SQLite :cite:`sqlite` using standard SQL, or -from the many programming language that support SQLite. Some of the -components of the database hold arrays of numbers which are stored in the -database as JSON-encoded strings, and will need to be unpacked to be used. +sections for the elements in an SQLite3 database, ``xraydb.sqlite``. This file +can be used directly with SQLite :cite:`sqlite` or from the many programming +language that have interfaces to SQLite. Some of the components of the +database hold arrays of numbers, which are stored as JSON-encoded strings, and +will need to be decoded from JSON to be used. A Python module providing an interface to this database is also provided here. -The project began with the data from the compilation of basic atomic -properties and X-ray absorption edge energies, emission energies, and -absorption cross sections from :cite:`Elam_Ravel_Sieber`, who assembled -data from a several sources. More data has been added from other sources. -Energy widths of core holes for excited electronic levels from -:cite:`Keski_Krause` and :cite:`Krause_Oliver`. Elastic X-ray scattering -data, :math:`f_0(q)` is taken from :cite:`Waasmaier_Kirfel`. Resonant -scattering cross sections :math:`f'(E)` and :math:`f''(E)` and absorption -cross sections from :cite:`Chantler` as from the `FFAST webpage`_ (but on -a finer energy grid, data from :cite:`Chantler2016`) are also included. +The current version of the XrayDB database is **9.1**, and the +Python module is version |release|. + +Values in XrayDB use the most common SI units for X-ray work: Cross sections +are in cm^2/gr, and energies are in eV. Energy-dependent data for +cross-sections are typically most reliable between about 250 eV to about +250,000 eV. Elements from Z=1 to 92 are supported, with some data are included +for elements between Z=93 and Z=98. -The values here use units that are SI and commonly used in X-ray work. -Cross sections are in cm^2/gr, and energies are in eV. Energy-dependent -data for cross-sections are typically most reliable between about 250 eV to -about 250,000 eV. Elements from Z=1 to 92 are supported, with some data -are included for elements between Z=93 and Z=98. -The current version of the XrayDB database is **9.1**, and the version of the -Python module is |release|. A few useful resources using this library include: +Some useful resources using this library include: * `XrayDB Web App (xrayabsorption.org)`_ is an interactive web applications to browse the data in this database and make plots of X-ray attenuation, @@ -49,6 +41,17 @@ Python module is |release|. A few useful resources using this library include: * `PDF Version of this documentation`_ +The project began with the data from the compilation of basic atomic +properties and X-ray absorption edge energies, emission energies, and +absorption cross sections from :cite:`Elam_Ravel_Sieber`, who assembled +data from a several sources. More data has been added from other sources. +Energy widths of core holes for excited electronic levels from +:cite:`Keski_Krause` and :cite:`Krause_Oliver`. Elastic X-ray scattering +data, :math:`f_0(q)` is taken from :cite:`Waasmaier_Kirfel`. Resonant +scattering cross sections :math:`f'(E)` and :math:`f''(E)` and absorption +cross sections from :cite:`Chantler` as from the `FFAST webpage`_ (but on +a finer energy grid, data from :cite:`Chantler2016`) are also included. + Table of Contents ----------------------- diff --git a/doc/periodictable.rst b/doc/periodictable.rst index 772b9f4..e4de2e1 100644 --- a/doc/periodictable.rst +++ b/doc/periodictable.rst @@ -18,7 +18,7 @@ X-ray Periodic Table of the Elements .. _Henry Moseley: https://en.wikipedia.org/wiki/Henry_Moseley -XrayDB has been used to generate X-ray Periodic Tables of the Elements. +XrayDB has been used to generate X-ray Periodic Tables of the Elements. This uses There is a choice of two sizes, and a choice of an image of one of four prominent scientists associated with the Periodic Table and X-ray diff --git a/poster/README b/poster/README index 34164b8..1673024 100644 --- a/poster/README +++ b/poster/README @@ -12,17 +12,19 @@ Building the Xray Periodic Table To generate the PDF, use: make -To generate without GSECARS QR code, use +To generate without the QR code pointing to GSECARS, use: cp ptable_no_gse.tex ptable.tex make This assumes two things: - a) latex and a reasonably modern version of the TikZ package are installed. - b) that either the atomic data has been or python, and the xraydb module - are installed. This holds the data from Elam, et al. The gen_atoms.py - script uses this to extract the data and write out latex paragraphs - for each element into the file atoms.tex. + a) latex and a reasonably modern version of the + TikZ package are installed. + b) that either the atomic data has been generated into atoms.tex + or that Python, and the xraydb module are installed, so that + the gen_atoms.py script can be run to extract the data from + the datatbase and write out latex paragraphs for each element + into the file atoms.tex with: python gen_atoms.py > atoms.tex