Data Formats Working Group: Difference between revisions

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[http://smallangles.net/pipermail/cansas-1dwg_smallangles.net/ Mailing List Archive]


===Timeline===
= Overview =
* 2007-12-31 agree on v1.0 format
* 2008-01-01 start implementing v1 at facilities
* 2008-06 representative sampling of data available for inter-facility comparison
* 2008-10 presentation of results at NOBUGS2008 meeting (date TBA)


As of early 2017, for new work, it is recommended to use the NXcanSAS (multi-dimensional)
standard for both 1-D and n-D data to maximize the chance that other
software will be able to read your data files.


=Current Definition=
We strongly encourage all authors of small-angle scattering related software to add support for NXcanSAS.
==XML template: cansas1d.xml==
<pre>
<?xml version="1.0"?>
<SASroot xmlns="http://www.smallangles.net/cansas1d"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xsi:schemaLocation="http://www.smallangles.net/cansas1d cansas1d.xsd"
version="0.1a">
<SASentry>
<Title></Title>
<Run></Run>
<SASdata>
<Idata>
<Q units="1/A">0.02</Q>
<I units="1/cm">1000</I>
<Qdev units="1/A" />
<Idev units="1/cm">3</Idev>
<Qfwhm units="1/A"><!-- Qfwhm is optional --></Qfwhm>
<Qmean units="1/A"><!-- Qmean is optional --></Qmean>
<Shadowfactor><!-- Shadowfactor is optional --></Shadowfactor>
</Idata>
</SASdata>
<SASsample>
<sample_ID>SI600-new-long</sample_ID>
<sample_thickness units="mm">1.03</sample_thickness>
<sample_transmission>0.327</sample_transmission>
<sample_temperature units="C">0.0000</sample_temperature>
<sample_offset_angle units="degrees">
<!--
++ Exactly what is this? 
++ Could there be two components?
-->
0.020
</sample_offset_angle>
<sample_x units="mm">10.00</sample_x>
<sample_y units="mm">0.00</sample_y>
<sample_prep>
http://chemtools.chem.soton.ac.uk/projects/blog/blogs.php/bit_id/2720
</sample_prep>
</SASsample>
<SASinstrument>
<SASsource></SASsource>
<SAScollimation></SAScollimation>
<SASdetector></SASdetector>
</SASinstrument>
<SASprocess>
<SASprocessnote></SASprocessnote>
</SASprocess>
<SASnote></SASnote>
</SASentry>
</SASroot>
</pre>


==XML Schema: cansas1d.xsd==
= Latest News =
<pre>
<?xml version="1.0" encoding="UTF-8"?>
<schema xmlns="http://www.w3.org/2001/XMLSchema"
targetNamespace="http://www.smallangles.net/cansas1d"
xmlns:tns="http://www.smallangles.net/cansas1d"
elementFormDefault="qualified">


<complexType name="QType">
Lots of discussion at [[canSAS-XI]] about metadata. Discussion and actions from the meeting are available [[canSAS-XI/DataFormats]]
<simpleContent>
<extension base="float">
<attribute name="units" type="string" default="1/A"
use="optional" />
</extension>
</simpleContent>
</complexType>


<complexType name="IType">
[[User:Jemian|Jemian]] 2017-01: NXcanSAS released
<simpleContent>
<extension base="float">
<attribute name="units" type="string" default="1/cm"
use="optional" />
</extension>
</simpleContent>
</complexType>


<complexType name="lengthType">
[[User:Tobias Richter|Tobias Richter]] 2015-12 : Multidim moved to github a while ago
<simpleContent>
<extension base="float">
<attribute name="units" type="string" default="mm"
use="optional" />
</extension>
</simpleContent>
</complexType>


<complexType name="temperatureType">
[[User:Ajj|Ajj]] 2012-07-31 : [[2012 Data Discussion| canSAS 2012 Data Formats discussion page]]
<simpleContent>
<extension base="float">
<attribute name="units" type="string" default="mm"
use="optional" />
</extension>
</simpleContent>
</complexType>


<complexType name="unitsType">
= Links =
<simpleContent>
<extension base="float">
<attribute name="units" type="string" use="required" />
</extension>
</simpleContent>
</complexType>


<!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
=== nD: NXcanSAS ===


<complexType name="IdataType">
standard for reduced small-angle scattering data of any dimension, using NeXus (HDF5)
<sequence>
<element name="Q" minOccurs="1" maxOccurs="1"
type="tns:QType" />
<element name="I" minOccurs="1" maxOccurs="1"
type="tns:IType" />
<element name="Qdev" minOccurs="0" maxOccurs="1"
type="tns:QType" default="0" />
<element name="Idev" minOccurs="0" maxOccurs="1"
type="tns:IType" default="0" />
<element name="Qfwhm" minOccurs="0" maxOccurs="1"
type="tns:QType" default="0" />
<element name="Qmean" minOccurs="0" maxOccurs="1"
type="tns:QType" default="0" />
<element name="Shadowfactor" minOccurs="0" maxOccurs="1"
type="float" default="1.0" />
</sequence>
</complexType>


<complexType name="SASdataType">
* '''v1.0''': 2017-01-18
<sequence>
* '''Announced''': 2017-06-06 (at [[canSAS-IX]])
<element name="Idata" minOccurs="1" maxOccurs="unbounded"
* '''Documentation''': [http://download.nexusformat.org/doc/html/classes/applications/NXcanSAS.html http://download.nexusformat.org/doc/html/classes/applications/NXcanSAS.html]
type="tns:IdataType" />
* '''Examples''':      [https://github.com/canSAS-org/NXcanSAS_examples https://github.com/canSAS-org/NXcanSAS_examples]
</sequence>
* '''GitHub (NeXus)''': [https://github.com/nexusformat/definitions https://github.com/nexusformat/definitions]
<attribute name="name" type="string" />
* '''poster''': [[Media:2017-05-09_NXcanSAS_2D_format.pdf|PDF]]
</complexType>


<!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
=== 1D: cansas1d:1.1 ===


<complexType name="SASsampleType">
standard for 1-D reduced small-angle scattering data, using XML (text)
<sequence>
<element name="sample_ID" minOccurs="1" maxOccurs="1"
type="string" />
<element name="sample_thickness" minOccurs="0" maxOccurs="1"
type="tns:lengthType" />
<element name="sample_transmission" minOccurs="0"
maxOccurs="1" type="float" />
<element name="sample_temperature" minOccurs="0"
maxOccurs="1" type="tns:temperatureType" />
<element name="sample_offset_angle" minOccurs="0"
maxOccurs="1" type="tns:unitsType" />
<element name="sample_x" minOccurs="0" maxOccurs="1"
type="tns:lengthType" />
<element name="sample_y" minOccurs="0" maxOccurs="1"
type="tns:lengthType" />
<element name="sample_prep" minOccurs="0" maxOccurs="1"
type="string" />
</sequence>
<attribute name="name" type="string" />
</complexType>


<!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
* v1.1: 2013-03-29
* v1.0: 2009-05-12


<complexType name="SASprocessType">
* '''Documentation''': [http://www.cansas.org/formats/canSAS1d/1.1/doc/ http://www.cansas.org/formats/canSAS1d/1.1/doc/]
<sequence>
* '''Examples''':      [https://github.com/canSAS-org/1dwg/tree/master/examples https://github.com/canSAS-org/1dwg/tree/master/examples]
<element name="SASprocessnote" type="string" />
* '''GitHub''':      [https://github.com/canSAS-org/1dwg  https://github.com/canSAS-org/1dwg]
</sequence>
<attribute name="name" type="string" />
</complexType>


<!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
= Members =
* Andrew Jackson (ESS)
* Pete Jemian (APS)
* Steve King (ISIS)
* Andrew Nelson (ANSTO)
* Jan Ilavsky (APS)


<complexType name="SASinstrumentType">
= Timeline =
<sequence>
* 2007-12-31 agree on v1.0 format
<element name="SASsource" type="string" />
* 2008-01-01 start implementing v1 at facilities
<element name="SAScollimation" type="string" />
* 2008-06 representative sampling of data available for inter-facility comparison
<element name="SASdetector" type="string" />
* 2008-11-3 presentation of results at NOBUGS2008 meeting ([http://www.nbi.ansto.gov.au/nobugs2008 http://www.nbi.ansto.gov.au/nobugs2008])
</sequence>
* 2009-05-12 tagged SVN changeset 67 as v1.0 since it has been unmodified since January
<attribute name="name" type="string" />
* 2009-09-17 Agreed that v1.1 revision should be forthcoming with corrections/additions to be identified in TRAC tickets
</complexType>


<!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
= Status =
[[User:Jemian|Jemian]] 11:10, 06 September 2008 (CDT) IgorPro GUI tool included in Irena [http://usaxs.xor.aps.anl.gov/staff/ilavsky/irena.html Irena] analysis suite<br />
[[User:Jemian|Jemian]] 13:08, 14 March 2008 (EDT) IgorPro tool to read cansas1d/1.0 XML files available<br />
[[User:Jemian|Jemian]] 13:38, 25 February 2008 (EST) starting to add case studies <br />
[[User:Jemian|Jemian]] 00:39, 21 December 2007 (EST) complete first draft (v0.1a) ready for comments from 1DWG <br />
[[User:Jemian|Jemian]] 12:00, 14 December 2007 (EST) draft status updated <br />
[[User:Jemian|Jemian]] 17:07, 12 May 2009 (EDT) changeset 67 tagged as v1.0


<complexType name="SASentryType">
= Examples and Usage =
<sequence>
The following are example v1.1 compliant 1D data files containing [besides essential metadata] - right-click & save as to view, stylesheet is on the TRAC site:<br /><br />
<element name="Title" minOccurs="0" maxOccurs="1"
SANS data only [[media:ISIS_SASXML_v1_1_SANS_Example.XML | ISIS_SASXML_v1_1_SANS_Example.XML]]<br />
type="string" />
Wavelength-dependent transmission [[media:ISIS_SASXML_v1_1_Transmission_Example.XML | ISIS_SASXML_v1_1_Transmission_Example.XML]]<br />
<element name="Run" minOccurs="0" maxOccurs="1"
Wavelength-dependent monitor spectrum [[media:ISIS_SASXML_v1_1_Monitor_Spectrum_Example.XML | ISIS_SASXML_v1_1_Monitor_Spectrum_Example.XML]]<br />
type="string" />
Wavelength-dependent detector efficiency ratio [[media:ISIS_SASXML_v1_1_Det_Efficiency_Example.XML | ISIS_SASXML_v1_1_Det_Efficency_Example.XML]]<br />
<element name="SASdata" type="tns:SASdataType" />
<element name="SASsample" type="tns:SASsampleType" />
<element name="SASinstrument" type="tns:SASinstrumentType" />
<element name="SASprocess" type="tns:SASprocessType" />
<element name="SASnote" />
</sequence>
<attribute name="name" type="string" />
</complexType>


<!-- ++++++++++++++++++++++++++++++++++++++++++++++++++++++ -->
The files can be usefully displayed in many web browsers: [[Rendering_canSAS1D_in_Web_Browsers]]


<complexType name="SASrootType">
[[Category:Working Groups]]
<sequence>
<element name="SASentry" minOccurs="1" maxOccurs="unbounded"
type="tns:SASentryType">
</element>
</sequence>
<attribute name="version" type="string" fixed="0.1a" />
</complexType>
 
<element name="SASroot" type="tns:SASrootType" />
 
</schema>
</pre>
 
==XML example==
to be defined


=Members=
= Mailing List=
* Andrew Jackson (NIST)
* Pete Jemian (APS)
* Steve King (ISIS)
* Ken Littrell (ORNL)
* Andy Nelson (ANSTO)
* Ron Ghosh (ILL)
* Jan Ilavsky (APS)


=News/Status=
The mailing list is now maintained by subscribing to this Google group:
--[[User:Jemian|Jemian]] 12:00, 14 December 2007 (EST)draft status updated


* [https://groups.google.com/forum/#!forum/cansas-dfwg https://groups.google.com/forum/#!forum/cansas-dfwg]


[[Category:Working Groups]]
Please address all questions and answers to this Google group.

Latest revision as of 18:10, 21 February 2024

Overview

As of early 2017, for new work, it is recommended to use the NXcanSAS (multi-dimensional) standard for both 1-D and n-D data to maximize the chance that other software will be able to read your data files.

We strongly encourage all authors of small-angle scattering related software to add support for NXcanSAS.

Latest News

Lots of discussion at canSAS-XI about metadata. Discussion and actions from the meeting are available canSAS-XI/DataFormats

Jemian 2017-01: NXcanSAS released

Tobias Richter 2015-12 : Multidim moved to github a while ago

Ajj 2012-07-31 : canSAS 2012 Data Formats discussion page

Links

nD: NXcanSAS

standard for reduced small-angle scattering data of any dimension, using NeXus (HDF5)

1D: cansas1d:1.1

standard for 1-D reduced small-angle scattering data, using XML (text)

  • v1.1: 2013-03-29
  • v1.0: 2009-05-12

Members

  • Andrew Jackson (ESS)
  • Pete Jemian (APS)
  • Steve King (ISIS)
  • Andrew Nelson (ANSTO)
  • Jan Ilavsky (APS)

Timeline

  • 2007-12-31 agree on v1.0 format
  • 2008-01-01 start implementing v1 at facilities
  • 2008-06 representative sampling of data available for inter-facility comparison
  • 2008-11-3 presentation of results at NOBUGS2008 meeting (http://www.nbi.ansto.gov.au/nobugs2008)
  • 2009-05-12 tagged SVN changeset 67 as v1.0 since it has been unmodified since January
  • 2009-09-17 Agreed that v1.1 revision should be forthcoming with corrections/additions to be identified in TRAC tickets

Status

Jemian 11:10, 06 September 2008 (CDT) IgorPro GUI tool included in Irena Irena analysis suite
Jemian 13:08, 14 March 2008 (EDT) IgorPro tool to read cansas1d/1.0 XML files available
Jemian 13:38, 25 February 2008 (EST) starting to add case studies
Jemian 00:39, 21 December 2007 (EST) complete first draft (v0.1a) ready for comments from 1DWG
Jemian 12:00, 14 December 2007 (EST) draft status updated
Jemian 17:07, 12 May 2009 (EDT) changeset 67 tagged as v1.0

Examples and Usage

The following are example v1.1 compliant 1D data files containing [besides essential metadata] - right-click & save as to view, stylesheet is on the TRAC site:

SANS data only ISIS_SASXML_v1_1_SANS_Example.XML
Wavelength-dependent transmission ISIS_SASXML_v1_1_Transmission_Example.XML
Wavelength-dependent monitor spectrum ISIS_SASXML_v1_1_Monitor_Spectrum_Example.XML
Wavelength-dependent detector efficiency ratio ISIS_SASXML_v1_1_Det_Efficency_Example.XML

The files can be usefully displayed in many web browsers: Rendering_canSAS1D_in_Web_Browsers

Mailing List

The mailing list is now maintained by subscribing to this Google group:

Please address all questions and answers to this Google group.

Retrieved from "https://wiki.cansas.org/index.php?title=Data_Formats_Working_Group&oldid=2483"