.. testdata_help.rst
Test Data
=========
Test data sets are included as a convenience to our users. Look in the \\example_data
sub-folder in your SasView installation folder.
The test data sets are organized based on their data structure & purpose:
- *1D data*
- *2D data*
- *convertible data* (as used by the File Converter tool)
- *coordinate data* (as used by the Generic Scattering Calculator tool)
- *DLS data*
- *image data* (as used by the Image Viewer tool)
- *magnetic data* (from polarised SANS)
- *NR data*
- *SESANS data*
- *other formats*
- *saved states*
- *other test data* (such as distribution weights files)
For information on the structure of these files, please see :ref:`Formats`.
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1D Data
^^^^^^^
1D data sets EITHER have:
- at least two columns of data with *Q* on the x-axis and *I(Q)* (assumed to be
in absolute units) on the y-axis; optionally, additional columns of data may
carry uncertainty data, resolution data, etc, or other metadata.
OR:
- the *Q* data and the *I(Q)* data in separate files *with no other information*;
data in the this format need to be converted to a single file multi-column format
with the :ref:`File_Converter_Tool` before they can be analysed in SasView; see
`Convertible Data`_ below.
1D Test Data
............
**Example data files are located in the \\1d_data sub-folder.**
10wtAOT_Reline_120_reduced / Anton-Paar / saxsess_example
- SAXS data from Anton-Paar SAXSess instruments saved in Otto Glatter's PDH format.
1umSlitSmearSphere
- Simulated NIST USANS data from a 1% dispersion of 1 micron spheres in D2O.
33837rear_1D_1.75_16.5
- TOF-SANS data from a magnetically-oriented surfactant liquid crystal collected on
the SANS2D instrument at ISIS.
- The files were output by the Mantid framework v3.6.
98929
- Simple two-column text variant of ISIS_98929 (see below).
Anton-Paar
- Example of the Anton-Paar XML format.
AOT_Microemulsion
- TOF-SANS data from Aerosol-OT surfactant-stabilised oil-in-water microemulsions
collected on the LOQ instrument at ISIS.
- Data are provided at three contrasts: core (oil core), drop (oil core + surfactant
layer), and shell (surfactant layer).
- The files were output by the Mantid framework v3.1.
- Suitable for testing :ref:`Simultaneous_Fit_Mode` .
apoferritin
- TOF-SANS data from a solution of the protein apoferritin collected on the SANS2D
instrument at ISIS.
- Suitable for testing :ref:`P(r)_Inversion` .
APS_DND-CAT
- SAXS data from the DND-CAT instrument at the APS.
AUSANS_run3_2_no_buffer / AUSANS_run4_1_with_buffer
- SANS data from the old AUSANS instrument at HIFAR (now decommissioned).
conalbumin
- TOF-SANS data from a solution of the protein conalbumin collected on the SANS2D
instrument at ISIS.
- Suitable for testing :ref:`P(r)_Inversion` .
FK403_0006_Nika / Lew_Sa3_DSM_QinA
- USAXS data from the 9ID instrument at the APS.
hSDS_D2O
- TOF-SANS data from h25-sodium dodecyl sulphate solutions in D2O at 0.5wt%
(just above the cmc), 2wt% (well above the cmc), and 2wt% but with 0.2mM
NaCl electrolyte collected on the LOQ instrument at ISIS.
- The files were output by the Mantid framework v3.1.
- Suitable for testing charged S(Q) models.
ISIS_83404 / ISIS_98929
- TOF-SANS data from polyamide-6 fibres hydrated in D2O collected on the LOQ
instrument at ISIS. The data exhibit a broad lamellar peak from the semi-
crystalline nanostructure.
- This is the *same data* as that in the BSL/OTOKO Z8300* / Z9800* convertible
files (see `Convertible Data`_) but in an amalgamated format!
- Suitable for testing :ref:`Correlation_Function_Analysis` .
ISIS_Polymer_Blend_RT2
- TOF-SANS data from a monodisperse (Mw/Mn~1.03) polymer blend of 52wt%
d8-polystyrene : 48wt% h8-polystyrene collected on the LOQ instrument at ISIS.
- Mw~54180 g/mol, Rg~58 Ang.
- The file was output by the Mantid framework v3.12.
- Suitable for testing the mono_gauss_coil, poly_gauss_coil and rpa models.
ISIS_Polymer_Blend_TK49
- TOF-SANS data from a monodisperse (Mw/Mn~1.02) polymer blend of 49wt%
d8-polystyrene : 51wt% h8-polystyrene collected on the LOQ instrument at ISIS.
- Mw~77500g/mol, Rg~74 Ang.
- The file was output by the Mantid framework v2.6.
- Suitable for testing the mono_gauss_coil, poly_gauss_coil and rpa models.
latex_smeared
- SANS and USANS data from 500nm polymer latex particles dispersed in D2O.
Ludox_silica
- TOF-SANS data from a dispersion of Ludox silica in mother liquor collected
on the LOQ instrument at ISIS.
- The file was output by the Mantid framework v3.11.
P123_D2O
- TOF-SANS data from lyotropic liquid crystalline solutions of the non-ionic
ABA block copolymer Pluronic P123 in D2O at 10wt%, 30wt%, and 40wt% collected
on the LOQ instrument at ISIS.
- This is the 1D radially-averaged form of the 2D data below (see `2D Data`_)!
- The files were output by the Mantid framework v3.3.
- Suitable for testing paracrystal models.
VTMA
- Multi-frame USAXS data from a thermo-mechanical analysis scan performed at
the APS.
- Suitable for testing :ref:`Batch_Fit_Mode` .
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2D Data
^^^^^^^
2D data sets are data sets that give the reduced intensity for a given *Qx-Qy* bin.
Depending on the file format, uncertainty data and metadata may also be present.
2D Test Data
............
**Example data files are located in the \\2d_data sub-folder.**
14250_2D_NoDetInfo_NXcanSAS_v3
- TOF-SANS data from an unidentified sample collected on the LARMOR instrument
at ISIS.
- The data are written in a minimalist form of the NXcanSAS standard format.
33837rear_2D_1.75_16.5
- TOF-SANS data from a magnetically-oriented surfactant liquid crystal collected
on the SANS2D instrument at ISIS.
- The data are written in the NIST 2D format and two variants of the NXcanSAS
standard format.
- The NXcanSAS files were output by the Mantid framework v3.6 and v3.7.
BAM_2D
- SAXS data from an oriented Fe sample collected at BAM.
- The data are written in a minimalist form of the NXcanSAS standard format.
exp18_14_igor_2dqxqy
- SANS data from a non-centrosymmetric measurement collected on the HiResSANS
instrument at ORNL.
- The data are written in the NIST 2D format.
P123_D2O
- TOF-SANS data from lyotropic liquid crystalline solutions of the non-ionic
ABA block copolymer Pluronic P123 in D2O at 10wt%, 30wt%, and 40wt% collected
on the LOQ instrument at ISIS.
- This is the 2D form of the 1D radially-averaged data above (see `1D Data`_)!
- The data are written in the NIST 2D format.
- Suitable for testing paracrystal models.
SILIC010
- SANS data from a 2% dispersion of silica nanoparticles in D2O collected at ORNL.
- The data are written in the NIST 2D format.
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Convertible Data
^^^^^^^^^^^^^^^^
**Example data files are located in the \\convertible_files sub-folder.**
APS_X / APS_Y
- ASCII format 1D SAXS data output by a reduction software package at the APS.
- Suitable for testing the :ref:`File_Converter_Tool` .
FIT2D_I / FIT2D_Q
- ASCII format 1D SAXS data output by the FIT2D software package at the ESRF.
- Suitable for testing the :ref:`File_Converter_Tool` .
X25000.L2D
- Binary BSL/OTOKO format 2D TOF-SANS data collected on the LOQ instrument at ISIS.
- Suitable for testing the :ref:`File_Converter_Tool` .
Z8300*.I1D / Z8300*.QAX / Z9800*.I1D / Z9800*.QAX
- Binary BSL/OTOKO format 1D TOF-SANS data from polyamide-6 fibres hydrated
in D2O collected on the LOQ instrument at ISIS. The data exhibit a broad
lamellar peak from the semi-crystalline nanostructure.
- This is the *same data* as that in ISIS_83404 / ISIS_98929 (see `1D Data`_)
but in a historical separated format developed at the SRS Daresbury!
- Suitable for testing the :ref:`File_Converter_Tool` .
- Suitable for testing :ref:`Correlation_Function_Analysis` after conversion.
LMOG_100254_merged_ISIS2D
- ASCII format TOF-SANS data from low-molecular weight organo-gelator system
collected on the LOQ instrument at ISIS.
- The data are written in the historical COLETTE (or RKH) 2D format.
- Suitable for testing the :ref:`File_Converter_Tool` .
YBCO_12685__ISIS2D
- ASCII format TOF-SANS data from a Nb/YBaCuO superconductor sample collected
on the SANS2D instrument at ISIS.
- The data are written in the historical COLETTE (or RKH) 2D format.
- Suitable for testing the :ref:`File_Converter_Tool` .
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Coordinate Data
^^^^^^^^^^^^^^^
Coordinate data, such as PDB (Protein Data Bank) or OMF/SLD (micromagnetic simulation)
files, and which describe a specific structure, are designed to be read and viewed in
the :ref:`SANS_Calculator_Tool` .
Coordinate Test Data
....................
**Example data files are located in the \\coordinate_data sub-folder.**
1n04
- PDB format data file describing the structure of the protein transferrin.
2w0o
- PDB format data file describing the structure of the protein apoferritin.
A_Raw_Example-1
- OMF format data file from a simulation of magnetic spheres.
diamond
- PDB format data file describing the structure of diamond.
dna
- PDB format data file describing the structure of DNA.
five_tetrahedra_cube
- VTK format file describing a cube formed of five finite elements.
mag_cylinder
- SLD file that describes a single cylinder of radius 2nm and length of 4nm.
The cylinder has equal nuclear and magnetic SLD, magnetised along the length.
sld_file
- Example SLD format data file.
sphere_R= x with x = 0_0025, 0_2025, 4 and 2500
- VTK format data files describing a homogeneously magnetised sphere. The ratio R
between nuclear and magnetic SLD is varied from mostly magnetic to only nuclear
structural scattering.
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DLS Data
^^^^^^^^
DLS (Dynamic Light Scattering) data sets primarily contain the intensity
autocorrelation function as a function of the delay time (in microseconds).
DLS Test Data
................
**Example data files are located in the \\dls_data sub-folder.**
dls_monodisperse / dls_polydisperse
- DLS data from a very dilute dispersion of 3 nm polymer latex nanoparticles in
H/D-water.
- Suitable for testing the cumulants_dls model.
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Image Data
^^^^^^^^^^
Image data sets are designed to be read by the :ref:`Image_Viewer_Tool` .
They can also be converted into synthetic 2D data.
Image Test Data
...............
**Example data files are located in the \\image_data sub-folder.**
ISIS_98940
- TOF-SANS data from polyamide-6 fibres hydrated in D2O collected on the LOQ
instrument at ISIS. The data exhibit a broad lamellar peak from the semi-
crystalline nanostructure which, because of the orientation of the fibres,
gives rise to an anisotropic 2D scattering pattern.
- The image data is presented in Windows Bitmap (.bmp), GIF (.gif), JPEG (.jpg),
Portable Network Grpahics (.png), and TIFF (.tif) formats.
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Magnetic Data
^^^^^^^^^^^^^
Polarised SANS data.
Magnetic Test Data
..................
**Example data files are located in the \\magnetic_data sub-folder.**
S50
- 2D and 1D sector data from 10 nm nanospheres in d8-toluene (c_Fe2O3 = 50 mg/ml,
~1 vol%) at an aligning magnetic field of 1.5 T in horizontal direction.
- See `10.1088/1367-2630/14/1/013025 <https://dx.doi.org/10.1088/1367-2630/14/1/013025>`_
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Reflectometry Data
^^^^^^^^^^^^^^^^^^
Neutron (NR) or X-ray (XR) Reflectometry data sets primarily contain the
interfacial reflectivity as a function of *Q*.
.. note:: The Refl1D reflectivity model-fitting software uses the same fitting
engine (Bumps) as SasView.
Reflectometry Test Data
.......................
**Example data files are located in the \\reflectometry_data sub-folder.**
NR_Ni_down_state / NR_Ni_up_state
- Polarised (spin down/up) NR data from a Ni multilayer sample.
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SESANS Data
^^^^^^^^^^^
SESANS (Spin-Echo SANS) data sets primarily contain the normalised neutron
polarisation as a function of the spin-echo length. Also see :ref:`SESANS` .
SasView treats all files ending .ses as SESANS data.
.. note:: The .ses format is still under development and may be subject to change.
SESANS Test Data
................
**Example data files are located in the \\sesans_data sub-folder.**
sphere_isis
- SESANS data from 100nm PMMA latex nanoparticles in h/d-decalin collected on
the LARMOR instrument at ISIS over spin-echo lengths 260 < :math:`\delta` < 19300 |Ang| .
spheres2micron
- SESANS data from 2 micron polystyrene spheres in 53% H2O / 47% D2O collected
on the LARMOR instrument at ISIS over spin-echo lengths 400 < :math:`\delta` < 46000 |Ang| .
spheres2micron_long
- SESANS data from 2 micron polystyrene spheres in 53% H2O / 47% D2O collected
on the LARMOR instrument at ISIS over spin-echo lengths 400 < :math:`\delta` < 200000 |Ang| .
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Saved States
^^^^^^^^^^^^
Saved states are projects and analyses saved by the SasView program.
A single analysis file contains the data and parameters for a single fit
(.fit), p(r) inversion (.prv), or invariant calculation (.inv).
A project file (.svs) contains the results for every active analysis in a
SasView session.
Saved State Test Data
.....................
**Example data files are located in the \\saved_states sub-folder.**
constrained_fit_project
- A saved fitting project.
- The file contents are written in XML.
fit_pr_and_invariant_project
- A saved fitting and invariant analysis project.
- The file contents are written in XML.
fitstate.fitv
- A saved fitting analysis.
- The file contents are written in XML.
project_multiplicative_constraint
- A saved fitting project with multiple parameter constraints.
- The file contents are written in XML.
project_new_style
- A complex saved fitting project.
- The file contents are written in JSON.
prstate.prv
- A saved P(r) analysis.
- The file contents are written in XML.
test.inv
- A saved invariant analysis.
- The file contents are written in XML.
test002.inv
- A saved invariant analysis.
- The file contents are written in XML.
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Other Formats
^^^^^^^^^^^^^
Data in the \\other_formats folder are alternative variations of formats used
by SasView, or formats that are not yet implemented but which might be in future
versions of the program.
1000A_sphere_sm
- CanSAS 1D format data from 1000 |Ang| spheres.
- This version of the format was written by the NIST IGOR reduction software
(cf. similar xml data in the `1D Data`_ folder).
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Other Test Data
^^^^^^^^^^^^^^^
Data in the \\other_files folder include weights for testing user-defined
distributions (i.e., polydispersity) on angular (theta/phi) or size (radius/length)
parameters.
.. note:: Please read the help documentation on :ref:`polydispersityhelp` before
attempting to use user-defined distributions.
dist_THETA_weights.txt
phi_weights.txt
radius_dist.txt
THETA_weights.txt
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.. note:: This help document was last changed by Steve King, 25Jan2024