diff --git a/.gitignore b/.gitignore index 1e25594542..fbf3fd897e 100644 --- a/.gitignore +++ b/.gitignore @@ -1,6 +1,7 @@ # Hidden files .* !.github +!.readthedocs.yaml # Python byte / compiled / optimized *.py[cod] diff --git a/.readthedocs.yaml b/.readthedocs.yaml new file mode 100644 index 0000000000..fe110f1895 --- /dev/null +++ b/.readthedocs.yaml @@ -0,0 +1,12 @@ +version: 2 + +build: + os: ubuntu-22.04 + tools: + python: "3.12" + commands: + - pip install -r requirements.txt + - make prepare + - make html + - mkdir -p $READTHEDOCS_OUTPUT/html + - cp -r build/manual/build/html/* $READTHEDOCS_OUTPUT/html/ diff --git a/contributed_definitions/NXauger_line.nxdl.xml b/contributed_definitions/NXauger_line.nxdl.xml new file mode 100644 index 0000000000..34328032b8 --- /dev/null +++ b/contributed_definitions/NXauger_line.nxdl.xml @@ -0,0 +1,976 @@ + + + + + + An Auger line. It arises from the non-radiative decay of an atom with a + core hole: an electron from a higher level fills the hole and another + electron, the Auger electron, is ejected, with a kinetic energy + characteristic of the atom. + + + + The Auger line name using either the notation ``INITIAL-FINAL1FINAL2`` + for a specific line or ``INITIAL-TOTAL`` (e.g. ``K-TOTAL``) for the + sum over all Auger lines originating from a given initial edge. + + The initial edge is one of: K, L1-L3, M1-M5. The two final edges range + from L through Q. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Kinetic energy of the emitted Auger electron. + + + + + The element undergoing the Auger transition. + + + diff --git a/contributed_definitions/NXelement.nxdl.xml b/contributed_definitions/NXelement.nxdl.xml new file mode 100644 index 0000000000..24400ad292 --- /dev/null +++ b/contributed_definitions/NXelement.nxdl.xml @@ -0,0 +1,158 @@ + + + + + + A chemical element of the periodic table. It is identified by its atomic + number, as a species and not as a specific isotope. + + + + Chemical symbol of the element, following IUPAC notation. For each + symbol, the common English name, atomic number, and standard atomic + weight are documented. + + + name="hydrogen", atomic_number=1, standard_atomic_weight=1.0078 + name="helium", atomic_number=2, standard_atomic_weight=4.0026 + name="lithium", atomic_number=3, standard_atomic_weight=6.94 + name="beryllium", atomic_number=4, standard_atomic_weight=9.0122 + name="boron", atomic_number=5, standard_atomic_weight=10.81 + name="carbon", atomic_number=6, standard_atomic_weight=12.011 + name="nitrogen", atomic_number=7, standard_atomic_weight=14.007 + name="oxygen", atomic_number=8, standard_atomic_weight=15.999 + name="fluorine", atomic_number=9, standard_atomic_weight=18.9984 + name="neon", atomic_number=10, standard_atomic_weight=20.1797 + name="sodium", atomic_number=11, standard_atomic_weight=22.9898 + name="magnesium", atomic_number=12, standard_atomic_weight=24.305 + name="aluminum", atomic_number=13, standard_atomic_weight=26.9815 + name="silicon", atomic_number=14, standard_atomic_weight=28.085 + name="phosphorus", atomic_number=15, standard_atomic_weight=30.9738 + name="sulfur", atomic_number=16, standard_atomic_weight=32.06 + name="chlorine", atomic_number=17, standard_atomic_weight=35.453 + name="argon", atomic_number=18, standard_atomic_weight=39.948 + name="potassium", atomic_number=19, standard_atomic_weight=39.0983 + name="calcium", atomic_number=20, standard_atomic_weight=40.078 + name="scandium", atomic_number=21, standard_atomic_weight=44.9559 + name="titanium", atomic_number=22, standard_atomic_weight=47.867 + name="vanadium", atomic_number=23, standard_atomic_weight=50.9415 + name="chromium", atomic_number=24, standard_atomic_weight=51.996 + name="manganese", atomic_number=25, standard_atomic_weight=54.938 + name="iron", atomic_number=26, standard_atomic_weight=55.845 + name="cobalt", atomic_number=27, standard_atomic_weight=58.9332 + name="nickel", atomic_number=28, standard_atomic_weight=58.6934 + name="copper", atomic_number=29, standard_atomic_weight=63.546 + name="zinc", atomic_number=30, standard_atomic_weight=65.38 + name="gallium", atomic_number=31, standard_atomic_weight=69.72 + name="germanium", atomic_number=32, standard_atomic_weight=72.63 + name="arsenic", atomic_number=33, standard_atomic_weight=74.9216 + name="selenium", atomic_number=34, standard_atomic_weight=78.971 + name="bromine", atomic_number=35, standard_atomic_weight=79.904 + name="krypton", atomic_number=36, standard_atomic_weight=83.798 + name="rubidium", atomic_number=37, standard_atomic_weight=85.4678 + name="strontium", atomic_number=38, standard_atomic_weight=87.62 + name="yttrium", atomic_number=39, standard_atomic_weight=88.9058 + name="zirconium", atomic_number=40, standard_atomic_weight=91.224 + name="niobium", atomic_number=41, standard_atomic_weight=92.9064 + name="molybdenum", atomic_number=42, standard_atomic_weight=95.95 + name="technetium", atomic_number=43, standard_atomic_weight=97.907 + name="ruthenium", atomic_number=44, standard_atomic_weight=101.07 + name="rhodium", atomic_number=45, standard_atomic_weight=102.906 + name="palladium", atomic_number=46, standard_atomic_weight=106.42 + name="silver", atomic_number=47, standard_atomic_weight=107.868 + name="cadmium", atomic_number=48, standard_atomic_weight=112.414 + name="indium", atomic_number=49, standard_atomic_weight=114.818 + name="tin", atomic_number=50, standard_atomic_weight=118.71 + name="antimony", atomic_number=51, standard_atomic_weight=121.76 + name="tellurium", atomic_number=52, standard_atomic_weight=127.6 + name="iodine", atomic_number=53, standard_atomic_weight=126.905 + name="xenon", atomic_number=54, standard_atomic_weight=131.293 + name="cesium", atomic_number=55, standard_atomic_weight=132.905 + name="barium", atomic_number=56, standard_atomic_weight=137.327 + name="lanthanum", atomic_number=57, standard_atomic_weight=138.905 + name="cerium", atomic_number=58, standard_atomic_weight=140.116 + name="praseodymium", atomic_number=59, standard_atomic_weight=140.908 + name="neodymium", atomic_number=60, standard_atomic_weight=144.242 + name="promethium", atomic_number=61, standard_atomic_weight=145.0 + name="samarium", atomic_number=62, standard_atomic_weight=150.36 + name="europium", atomic_number=63, standard_atomic_weight=151.96 + name="gadolinium", atomic_number=64, standard_atomic_weight=157.25 + name="terbium", atomic_number=65, standard_atomic_weight=158.925 + name="dysprosium", atomic_number=66, standard_atomic_weight=162.5 + name="holmium", atomic_number=67, standard_atomic_weight=164.93 + name="erbium", atomic_number=68, standard_atomic_weight=167.259 + name="thulium", atomic_number=69, standard_atomic_weight=168.934 + name="ytterbium", atomic_number=70, standard_atomic_weight=173.045 + name="lutetium", atomic_number=71, standard_atomic_weight=174.967 + name="hafnium", atomic_number=72, standard_atomic_weight=178.49 + name="tantalum", atomic_number=73, standard_atomic_weight=180.948 + name="tungsten", atomic_number=74, standard_atomic_weight=183.84 + name="rhenium", atomic_number=75, standard_atomic_weight=186.207 + name="osmium", atomic_number=76, standard_atomic_weight=190.23 + name="iridium", atomic_number=77, standard_atomic_weight=192.217 + name="platinum", atomic_number=78, standard_atomic_weight=195.084 + name="gold", atomic_number=79, standard_atomic_weight=196.967 + name="mercury", atomic_number=80, standard_atomic_weight=200.592 + name="thallium", atomic_number=81, standard_atomic_weight=204.383 + name="lead", atomic_number=82, standard_atomic_weight=207.2 + name="bismuth", atomic_number=83, standard_atomic_weight=208.98 + name="polonium", atomic_number=84, standard_atomic_weight=209.0 + name="astatine", atomic_number=85, standard_atomic_weight=210.0 + name="radon", atomic_number=86, standard_atomic_weight=222.0 + name="francium", atomic_number=87, standard_atomic_weight=223.0 + name="radium", atomic_number=88, standard_atomic_weight=226.0 + name="actinium", atomic_number=89, standard_atomic_weight=227.0 + name="thorium", atomic_number=90, standard_atomic_weight=232.038 + name="protactinium", atomic_number=91, standard_atomic_weight=231.036 + name="uranium", atomic_number=92, standard_atomic_weight=238.029 + name="neptunium", atomic_number=93, standard_atomic_weight=237.048 + name="plutonium", atomic_number=94, standard_atomic_weight=239.052 + name="americium", atomic_number=95, standard_atomic_weight=243.0 + name="curium", atomic_number=96, standard_atomic_weight=247.0 + name="berkelium", atomic_number=97, standard_atomic_weight=247.0 + name="californium", atomic_number=98, standard_atomic_weight=251.0 + name="einsteinium", atomic_number=99, standard_atomic_weight=252 + name="fermium", atomic_number=100, standard_atomic_weight=257 + name="mendelevium", atomic_number=101, standard_atomic_weight=258 + name="nobelium", atomic_number=102, standard_atomic_weight=259 + name="lawrencium", atomic_number=103, standard_atomic_weight=266 + name="rutherfordium", atomic_number=104, standard_atomic_weight=267 + name="dubnium", atomic_number=105, standard_atomic_weight=268 + name="seaborgium", atomic_number=106, standard_atomic_weight=269 + name="bohrium", atomic_number=107, standard_atomic_weight=270 + name="hassium", atomic_number=108, standard_atomic_weight=269 + name="meitnerium", atomic_number=109, standard_atomic_weight=278 + name="darmstadtium", atomic_number=110, standard_atomic_weight=281 + name="roentgenium", atomic_number=111, standard_atomic_weight=282 + name="copernicium", atomic_number=112, standard_atomic_weight=285 + name="nihonium", atomic_number=113, standard_atomic_weight=286 + name="flerovium", atomic_number=114, standard_atomic_weight=289 + name="moscovium", atomic_number=115, standard_atomic_weight=290 + name="livermorium", atomic_number=116, standard_atomic_weight=293 + name="tennessine", atomic_number=117, standard_atomic_weight=294 + name="oganesson", atomic_number=118, standard_atomic_weight=294 + + + diff --git a/contributed_definitions/NXemission_line.nxdl.xml b/contributed_definitions/NXemission_line.nxdl.xml new file mode 100644 index 0000000000..4c3d7df898 --- /dev/null +++ b/contributed_definitions/NXemission_line.nxdl.xml @@ -0,0 +1,632 @@ + + + + + + An emission line. It arises from the radiative decay of an atom with a + core hole: an electron from a higher level fills the hole and a photon is + emitted, with an energy characteristic of the atom. + + + + The emission line name using either the `IUPAC notation`_, i.e. initial and final + edge separated by a hyphen (e.g. ``K-L3``), or the Latinized Siegbahn + notation (e.g. ``Ka1``). + + Correspondence between IUPAC and Siegbahn notations: + + .. list-table:: + :header-rows: 1 + + * - IUPAC + - Siegbahn + - Latinized Siegbahn + * - K-L3 + - :math:`K\alpha_1` + - Ka1 + * - K-L2 + - :math:`K\alpha_2` + - Ka2 + * - K-L1 + - :math:`K\alpha_3` + - Ka3 + * - K-M3 + - :math:`K\beta_1` + - Kb1 + * - K-N3 + - :math:`K\beta_2'` + - Kb2\' + * - K-N2 + - :math:`K\beta_2''` + - Kb2\'\' + * - K-M2 + - :math:`K\beta_3` + - Kb3 + * - K-N5 + - :math:`K\beta_4'` + - Kb4\' + * - K-N4 + - :math:`K\beta_4''` + - Kb4\'\' + * - K-N4 + - :math:`K\beta_{4x}` + - Kb4x + * - K-M5 + - :math:`K\beta_5'` + - Kb5\' + * - K-M4 + - :math:`K\beta_5''` + - Kb5\'\' + * - L3-M5 + - :math:`L\alpha_1` + - La1 + * - L3-M4 + - :math:`L\alpha_2` + - La2 + * - L2-M4 + - :math:`L\beta_1` + - Lb1 + * - L3-N5 + - :math:`L\beta_2` + - Lb2 + * - L1-M3 + - :math:`L\beta_3` + - Lb3 + * - L1-M2 + - :math:`L\beta_4` + - Lb4 + * - L3-O4,5 + - :math:`L\beta_5` + - Lb5 + * - L3-N1 + - :math:`L\beta_6` + - Lb6 + * - L3-O1 + - :math:`L\beta_7` + - Lb7 + * - L3-N6,7 + - :math:`L\beta_7'` + - Lb7\' + * - L1-M5 + - :math:`L\beta_9` + - Lb9 + * - L1-M4 + - :math:`L\beta_{10}` + - Lb10 + * - L3-N4 + - :math:`L\beta_{15}` + - Lb15 + * - L2-M3 + - :math:`L\beta_{17}` + - Lb17 + * - L2-N4 + - :math:`L\gamma_1` + - Lg1 + * - L1-N2 + - :math:`L\gamma_2` + - Lg2 + * - L1-N3 + - :math:`L\gamma_3` + - Lg3 + * - L1-O3 + - :math:`L\gamma_4` + - Lg4 + * - L1-O2 + - :math:`L\gamma_4'` + - Lg4\' + * - L2-N1 + - :math:`L\gamma_5` + - Lg5 + * - L2-O4 + - :math:`L\gamma_6` + - Lg6 + * - L2-O1 + - :math:`L\gamma_8` + - Lg8 + * - L2-N6,7 + - :math:`L\gamma_8'` + - Lg8\' + * - L2-M1 + - :math:`L\eta` + - Ln + * - L3-M1 + - :math:`Ll` + - Ll + * - L3-M3 + - :math:`Ls` + - Ls + * - L3-M2 + - :math:`Lt` + - Lt + * - L3-N6,7 + - :math:`Lu` + - Lu + * - L2-N6,7 + - :math:`Lv` + - Lv + * - M5-N7 + - :math:`M\alpha_1` + - Ma1 + * - M5-N6 + - :math:`M\alpha_2` + - Ma2 + * - M4-N6 + - :math:`M\beta` + - Mb + * - M3-N5 + - :math:`M\gamma` + - Mg + * - M4,5-N2,3 + - :math:`M\zeta` + - Mz + + .. _IUPAC notation: https://doi.org/10.1002/xrs.1300200308 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Energy of the emission line. + + + + + The element that emits this line. + + +