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Tasks

  1. Find out why the vanadium runs (379-10/11) look funny, i.e., oscilating curves;
  2. Talk with Clarina how to deal with vanadium spectrum with peaks striped;
  3. Tab Normalized: Normalization Monitor should have a default value as the average of monitor counts
  4. Check whether a scan has been loaded as Load is pushed;
  5. Enable SaveGSS() work with reactor-source powder diffractometers;

Finished Tasks

  1. Make tab Raw Detector work;
  2. Make tab Individual Detector work;
  3. Implement tab vanadium;
  4. (75%) Each tab with Previous and Next buttons should have a data structure to record whether a certain plot is already on canvas
  5. Tab Normalized: Normalization Monitor is not parsed;
  6. Tab Normalized: apply reduction record to binning push buttons and avoid plotting one data twice on same plot with Prev Scan and Next Scan;
  7. Tab Normalized: Save does not work well with option gsas and fullprof;
  8. Tab vanadium: implement Smooth Data;
  9. Tab vanadium: implement Save;
  10. Tab Multiple Scans: implement Save Merged
  11. Tab Multiple Scans: implement Save All

Use cases for tabs

  1. Raw Detectors: Visualize the reading of detectors directly coming out of the raw data * Plot N lines for N Pts.; * Highlight (make it thicker) the Pt that is interested; * New from Mantid: ReadRawSpiceSignal(Pts);
  2. Individual Detector: Visual the readings of one detector across an experiment * Plot the counts of any individual detector; * Able to change the X-axis from 2theta to arbitrary sample environment log; * New from Mantid: ReadRawSpiceSignal(DetectorID, XLabel);
  3. Normalized: Reduce one scan each time * Plot the reduced data * Automatically locate detector efficiency file * New from Mantid: ConvertCWPDMDToSpectra(ExcludedDetectors=[]) * New from Mantid: ConvertSpiceDataToRealSpace(DetectorEfficiencyTable)
  4. Multiple Scans: Reduce a set of scans * Reduce a set of scans and plot in 2D/water-fall mode; * Able to merge all the scans; * New from Mantid: ConvertCWPDMDToSpectra(ExcludedDetectors=[])
  5. Vanadium: strip vanadium peaks * Strip vanadium peak with unit 'Degrees' because of the binning (range and step size) must be respected; * Peaks' position should be calculated and indicated auotmatically; * Mantid::StripPeaks() will be called instread of StripVadadiumPeaks() because the later one only works in d-spacing;
  6. Advanced Setup * URL for raw data files;

Suggested workflow for Normalization

Here is a typical use case for reduce data via tab Noramlization

  1. User specify Exp No and Scan No;
  2. HFIR-PDR-GUI loads SPICE data according to experiment number and scan number;
  3. HFIR-PDR-GUI checks whether vanadium correction file, i.e., detector efficiency file exists on server;
  4. HFIR-PDR-GUI checks whether excluded detectors file exists on server;
  5. HFIR-PDR-GUI checks log m1 for wavelength and set to Wavelength ;
  6. User may specify detector efficient file;
  7. User specifies Bin Size; (Or auto bin size determination???)
  8. User pushes button Load Data;
  9. HFIR-PDF-GUI reduce data in unit of 2theta by taking accounting of
  • Detector efficiency;
  • Excluded detectors;
  1. HFIR-PDR-GUI plots the reduced data;
  2. User may rebin by different binning parameters or unit;
  3. User may save the result;

Suggested workflow for Multiple Scans

It might be confusing to use the functionalities in tab Multiple Scans. Here is the suggested workflow to reduce multiple scans and possibly merge them.

  1. Set up Exp No and range of scan numbers;
  2. Push button Load All to load and reduce all runs specified in previous step to single-spectrum diffraction pattern;
  3. Waterfall plot all reduced scans in default;
  4. Optinally plot all data in 2D fill plot;
  5. User can delete some scans from the reduced scans via GUI or input text edit;
  6. Push button Merge to merge the scans;
  7. Push button Save All to save all individual scans to files;
  8. Push button Save Merged to save the merged scans to one file;

Features (Implemented)

  • Automatic wavelength mapping (in progress);

HB2A Data Reduction

Raw experimental data are to be corrected by (1) detector efficiency, (2) vanadium spectrum and etc. Experiments are done with neutrons with various wavelengthes.
There information can be retrieved from HB2A's data repository accessible from internet.

Experiment setup and sample log

  1. Wavelength: There are three settings for neutron wavelength, referenced by sample log m1.
  • Ge 113: :math:\lambda = 2.41 \AA, m1 = 9.45 (The error can be 0.05, such that in Exp 231 scan0001, m1=9.5)
  • Ge 115: :math:\lambda = 1.54 \AA, m1 = 0
  • Ge 117 :math:\lambda = 1.12 \AA, No used
  1. Collimator translation: There are two status for collimator, which is specified by sample log colltrans
  • IN: colltrans = 0
  • OUT: colltrans = +/-80

Raw data correction files

  1. Detector efficiency:
  1. Excluded detectors: Some detectors might be exluded from the experiment for some reason. It is recorded in some excluded detectors' file.
  1. Detector gaps: The 2-theta gap (in unit degrees) can be changed among cycles.