Monochromatic Neutron and X-ray Powder Diffraction

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Monochromatic Neutron and X-Ray Powder Diffraction

Find below my version of a DTD for monochromatic powder diffraction. I kept it fairly minimal; just the necessary stuff to do a normal Rietveld with it.

Contents

XML Meta-DTD Definition for NXmonopd.xml

This follows the XML Meta-DTD Definition format and can be downloaded from http://svn.nexusformat.org/definitions/tags/PRE_NXDL/instruments/NXmonopd.xml

<?xml version="1.0"?>
<!--
URL:
Editor: Mark Koennecke <Mark.Koennecke@psi.ch>
version: October 2006
$Id$

Instrument definition for a powder diffractometer at a monochromatic
neutron or X-ray beam. This is both suited for a powder diffractometer
with a single detector or a powder diffractometer with a position 
 sensitive detector.
-->
<NXroot>
  <NXentry name="{Entry Name}">+
     <title type="NX_CHAR">{Title of the experiment}</title>
     <start_time type="ISO8601">?{start time of measurement}
     </start_time>
     <end_time type="ISO8601">?{end time of measurement}
     </end_time>
     <NXinstrument name="instrument">
        <NXsource name="{Name of Source}">

	   <name type="NX_CHAR">{Name of Source}</name>
	   <type type="NX_CHAR">{Type of Source}</type>
	   <probe type="NX_CHAR">"{Neutron|X-ray}"</probe>
        </NXsource>
        <NXcrystal name="{Name of Monochromator Crystal}">
	   <wavelength type="NX_FLOAT" units="Angstrom">
               {nominal wavelength selected}
           </wavelength>
        </NXcrystal>

        <NXdetector name="{Name of Detector}">+
	   <polar_angle type="NX_FLOAT[]">
             {Polar Angle, commonly known as two theta}
             {Polar Angle, or two theta as an array with values for each
              detector element}
           </polar_angle>
	   <data type="NX_INT[]" signal="1" axes="polar_angle">
	      {The counts detected in each detector element}
	   </data>
           <efficiency type="NX_FLOAT[]">
              {Efficiency correction coefficients for each detector element}
           </efficiency>
        </NXdetector>

     </NXinstrument>
     <NXmonitor name="control">
        <mode type="NX_CHAR">monitor | timer</mode>
        <preset type="NX_FLOAT">
          {preset value for monitor or timer}
        </preset>
        <data type="NX_INT">
          {Monitor counts}
        </data>

     </NXmonitor>

   <NXsample name="{Name of Sample">
     <name type="NX_CHAR">
      {Descriptive name of sample}
     </name>
     <rotation_angle type="NX_FLOAT[]" units="degree">? 
       { Optional rotation angle for the case when the powder diagram
         has been obtained through an omega - two theta scan like from
         a traditional single detector powder diffractometer}
     </rotation_angle>
   </NXsample>
   <NXdata name="{Name of Data Block}">+
      <data type="NX_INT[i]" signal="1">
         {Link to detector counts in NXdetector}
      </data>

      <polar_angle type="NX_FLOAT[i]" axis="1">
         {Link to polar angle data in NXdetector}
      </polar_angle>
   </NXdata>
  </NXentry>
</NXroot>

Tabular Representation of XML Meta-DTD

(automatically generated from http://svn.nexusformat.org/definitions/tags/PRE_NXDL/instruments/NXmonopd.xml)

NXroot

Name Type Description Attributes
{Entry Name}NXentry

NXentry

Name Type Description Attributes
titleNX_CHARTitle of the experiment
start_timeISO 8601start time of measurement
end_timeISO 8601end time of measurement
instrumentNXinstrument

NXinstrument

Name Type Description Attributes
{Name of Source}NXsource

NXsource

Name Type Description Attributes
nameNX_CHARName of Source
typeNX_CHARType of Source
probeNX_CHAR

NXinstrument continued (1)

Name Type Description Attributes
{Name of Monochromator Crystal}NXcrystal

NXcrystal

Name Type Description Attributes
wavelengthNX_FLOATnominal wavelength selected
units="Angstrom"

NXinstrument continued (2)

Name Type Description Attributes
{Name of Detector}NXdetector

NXdetector

Name Type Description Attributes
polar_angleNX_FLOAT[]Polar Angle, commonly known as two theta
{Polar Angle, or two theta as an array with values for each detector element}
dataNX_INT[]The counts detected in each detector element
signal="1"

axes="polar_angle"

efficiencyNX_FLOAT[]Efficiency correction coefficients for each detector element

NXentry continued (1)

Name Type Description Attributes
controlNXmonitor

NXmonitor

Name Type Description Attributes
modeNX_CHAR
presetNX_FLOATpreset value for monitor or timer
dataNX_INTMonitor counts

NXentry continued (2)

Name Type Description Attributes
{Name of SampleNXsample

NXsample

Name Type Description Attributes
nameNX_CHARDescriptive name of sample
rotation_angleNX_FLOAT[] Optional rotation angle for the case when the powder diagram has been obtained through an omega - two theta scan like from a traditional single detector powder diffractometer
units="degree"

NXentry continued (3)

Name Type Description Attributes
{Name of Data Block}NXdata

NXdata

Name Type Description Attributes
dataNX_INT[i]Link to detector counts in NXdetector
signal="1"
polar_angleNX_FLOAT[i]Link to polar angle data in NXdetector
axis="1"

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