.. testdata_help.rst Test Data ========= Test data sets are included as a convenience to our users. Look in the \test sub-folder in your SasView installation folder. The test data sets are organized based on their data structure: - *1D data* - *convertible 1D data* - *2D data* - *coordinate data* - *image data* - *SESANS data* - *DLS data* - *NR data* - *save states* - *upcoming formats* - *other test data* .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 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 1D Data`_ below. 1D Test Data ............ **Example data files are located in the \\1d_data sub-folder.** 1umSlitSmearSphere - Simulated NIST USANS data from a 1% dispersion of 1 micron spheres in D2O. 10wtAOT_Reline_120_reduced / Anton-Paar / saxsess_example - SAXS data from Anton-Paar SAXSess instruments saved in Otto Glatter's PDH format. 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. 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 1D 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` . .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ Convertible 1D 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` . 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` . .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 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. .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 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. sphere_R=0_2025 - vtk format data file describing a homogeneously magnetised sphere. diamond - PDB format data file describing the structure of diamond. dna - PDB format data file describing the structure of DNA. sld_file - Example SLD format data file. .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 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. .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 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 < *z* < 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 < *z* < 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 < *z* < 200000 |Ang| . .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 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. .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ NR 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. NR Test Data ................ **Example data files are located in the \\nr_data sub-folder.** NR_Ni_down_state / NR_Ni_up_state - Polarised (spin down/up) NR data from a Ni multilayer sample. .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ Save 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 ..................... fitstate.fitv - A saved fitting analysis. - The file contents are written in XML. 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. 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. 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. .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ Upcoming Formats ^^^^^^^^^^^^^^^^ Data in this folder are in formats that are not yet implemented in SasView 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). .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ Other Test Data ^^^^^^^^^^^^^^^ Data in this 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 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ .. note:: This help document was last changed by Steve King, 26Oct2021