Skip to content

Commit 0fe77fb

Browse files
atomprobe-tcatomprobe-tc
committed
Renamed NXion to NXatom reintroduction of NXcrystal_structure to use it as a group in NXphase
1 parent 06688c1 commit 0fe77fb

File tree

3 files changed

+194
-2
lines changed

3 files changed

+194
-2
lines changed

base_classes/NXion.nxdl.xml renamed to base_classes/NXatom.nxdl.xml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -21,7 +21,7 @@
2121
#
2222
# For further information, see http://www.nexusformat.org
2323
-->
24-
<definition xmlns="http://definition.nexusformat.org/nxdl/3.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" category="base" type="group" name="NXion" extends="NXobject" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
24+
<definition xmlns="http://definition.nexusformat.org/nxdl/3.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" category="base" type="group" name="NXatom" extends="NXobject" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
2525
<symbols>
2626
<doc>
2727
The symbols used in the schema to specify e.g. dimensions of arrays.

‎base_classes/NXcrystal_structure.nxdl.xml‎

Lines changed: 192 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,192 @@
1+
<?xml version='1.0' encoding='UTF-8'?>
2+
<?xml-stylesheet type="text/xsl" href="nxdlformat.xsl"?>
3+
<!--
4+
# NeXus - Neutron and X-ray Common Data Format
5+
#
6+
# Copyright (C) 2014-2024 NeXus International Advisory Committee (NIAC)
7+
#
8+
# This library is free software; you can redistribute it and/or
9+
# modify it under the terms of the GNU Lesser General Public
10+
# License as published by the Free Software Foundation; either
11+
# version 3 of the License, or (at your option) any later version.
12+
#
13+
# This library is distributed in the hope that it will be useful,
14+
# but WITHOUT ANY WARRANTY; without even the implied warranty of
15+
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16+
# Lesser General Public License for more details.
17+
#
18+
# You should have received a copy of the GNU Lesser General Public
19+
# License along with this library; if not, write to the Free Software
20+
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
21+
#
22+
# For further information, see http://www.nexusformat.org
23+
-->
24+
<definition xmlns="http://definition.nexusformat.org/nxdl/3.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" category="base" type="group" name="NXcrystal_structure" extends="NXobject" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
25+
<symbols>
26+
<symbol name="n_hkl">
27+
<doc>
28+
Number of reflectors (Miller crystallographic plane triplets).
29+
</doc>
30+
</symbol>
31+
<symbol name="n_pos">
32+
<doc>
33+
Number of atom positions.
34+
</doc>
35+
</symbol>
36+
<symbol name="d">
37+
<doc>
38+
Dimensionality of the lattice.
39+
</doc>
40+
</symbol>
41+
</symbols>
42+
<doc>
43+
Base class to describe structural aspects of an arrangement of atoms or ions.
44+
</doc>
45+
<field name="identifierNAME" type="NX_CHAR" nameType="partial">
46+
<doc>
47+
Reference to another resource that was used for
48+
instantiating this structure model.
49+
</doc>
50+
</field>
51+
<field name="reference_frame" type="NX_CHAR">
52+
<doc>
53+
Path to a reference frame in which the unit cell is defined
54+
to resolve ambiguity when the reference frame is different
55+
to the NeXus default reference frame (McStas).
56+
</doc>
57+
</attribute>
58+
<field name="dimensionality" type="NX_POSINT">
59+
<doc>
60+
Dimensionality of the structure.
61+
</doc>
62+
<enumeration>
63+
<item value="1"/>
64+
<item value="2"/>
65+
<item value="3"/>
66+
</enumeration>
67+
</field>
68+
<field name="a_b_c" type="NX_NUMBER" units="NX_LENGTH">
69+
<doc>
70+
Crystallography unit cell parameters a, b, and c.
71+
</doc>
72+
<dimensions rank="1">
73+
<dim index="1" value="d"/>
74+
</dimensions>
75+
</field>
76+
<!--defined using which convention?-->
77+
<field name="alpha_beta_gamma" type="NX_NUMBER" units="NX_ANGLE">
78+
<doc>
79+
Crystallography unit cell parameters alpha, beta, and gamma.
80+
</doc>
81+
<dimensions rank="1">
82+
<dim index="1" value="d"/>
83+
</dimensions>
84+
</field>
85+
<field name="crystal_system" type="NX_CHAR">
86+
<doc>
87+
Crystal system.
88+
89+
For a crystal system in 2D space monoclinic is an exact synonym for oblique.
90+
For a crystal system in 2D space orthorhombic is an exact synonym for rectangular.
91+
For a crystal system in 2D space tetragonal is an exact synonym for square.
92+
</doc>
93+
<enumeration>
94+
<item value="triclinic"/>
95+
<item value="monoclinic"/>
96+
<item value="orthorhombic"/>
97+
<item value="tetragonal"/>
98+
<item value="rhombohedral"/>
99+
<item value="hexagonal"/>
100+
<item value="cubic"/>
101+
</enumeration>
102+
</field>
103+
<field name="laue_group" type="NX_CHAR">
104+
<doc>
105+
Laue group using International Table of Crystallography Notation.
106+
</doc>
107+
</field>
108+
<!--add enumeration of all possible-->
109+
<field name="point_group" type="NX_CHAR">
110+
<doc>
111+
Point group using International Table of Crystallography Notation.
112+
</doc>
113+
</field>
114+
<!--add enumeration all possible
115+
3d-->
116+
<field name="space_group" type="NX_CHAR">
117+
<doc>
118+
Space group from the International Table of Crystallography Notation.
119+
</doc>
120+
</field>
121+
<!--add enumeration of all possible-->
122+
<field name="is_centrosymmetric" type="NX_BOOLEAN">
123+
<doc>
124+
True if space group is considered a centrosymmetric one.
125+
False if space group is considered a non-centrosymmetric one.
126+
Centrosymmetric has all types and combinations of symmetry elements
127+
(translation, rotational axis, mirror planes, center of inversion)
128+
Non-centrosymmetric compared to centrosymmetric is constrained (no inversion).
129+
Chiral compared to non-centrosymmetric is constrained (no mirror planes).
130+
</doc>
131+
</field>
132+
<field name="is_chiral" type="NX_BOOLEAN">
133+
<doc>
134+
True if space group is considered a chiral one.
135+
False if space group is consider a non-chiral one.
136+
</doc>
137+
</field>
138+
<field name="area" type="NX_NUMBER" units="NX_AREA">
139+
<doc>
140+
Area of the unit cell considering that d = 2.
141+
</doc>
142+
</field>
143+
<field name="volume" type="NX_NUMBER" units="NX_VOLUME">
144+
<doc>
145+
Volume of the unit cell considering that d = 3.
146+
</doc>
147+
</field>
148+
<group type="NXatom"/>
149+
<field name="number_of_planes" type="NX_UINT" units="NX_UNITLESS">
150+
<doc>
151+
How many reflectors are distinguished.
152+
153+
Value has to match value for symbol n_hkl.
154+
</doc>
155+
</field>
156+
<field name="miller" type="NX_NUMBER" units="NX_UNITLESS">
157+
<doc>
158+
Miller indices :math:`(hkl)[uvw]` of the planes.
159+
160+
The first triplet specify :math:`(hkl)` the second triplet :math:`[uvw]`.
161+
Miller indices refer to the Cartesian right-handed coordinate system
162+
of the unit cell.
163+
</doc>
164+
<dimensions rank="2">
165+
<dim index="1" value="n_hkl"/>
166+
<dim index="2" value="6"/>
167+
</dimensions>
168+
</field>
169+
<field name="dspacing" type="NX_NUMBER" units="NX_LENGTH">
170+
<doc>
171+
Spacing between crystallographic planes as defined by field miller.
172+
</doc>
173+
<dimensions rank="1">
174+
<dim index="1" value="n_hkl"/>
175+
</dimensions>
176+
</field>
177+
<field name="relative_intensity" type="NX_NUMBER" units="NX_DIMENSIONLESS">
178+
<doc>
179+
Relative intensity of the signal for the plane.
180+
</doc>
181+
<dimensions rank="1">
182+
<dim index="1" value="n_hkl"/>
183+
</dimensions>
184+
</field>
185+
<field name="number_of_scan_points" type="NX_UINT" units="NX_UNITLESS">
186+
<doc>
187+
In case the :ref:`NXcrystal_structure` base class is used
188+
with analyzed orientation maps this field stores how many scan points
189+
of the map were identified as that phase.
190+
</doc>
191+
</field>
192+
</definition>

‎base_classes/NXebeam_column.nxdl.xml‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -37,7 +37,7 @@ part "an electron gun" reusable in other context-->
3737
In most cases users do not know, have to care, or are able to disentangle the
3838
details of the spatiotemporal dynamics of the components of the microscope.
3939
Instead, they rely on the assumption that the microscope and control software
40-
work as expected. Selecting then a specific operation_mode assures some level
40+
works as expected. Selecting then a specific operation_mode assures some level
4141
of reproducibility in the illumination conditions.
4242
</doc>
4343
</field>

0 commit comments

Comments
 (0)