Direct Inelastic#
Note
These release notes were migrated from the retired Mantid wiki (archive.mantidproject.org).
General#
Added ability to load NXSPE files.
Added support for the HYSPEC instrument.
Diag improvements#
In this release the diagnostics routines have been updated to match the output of the libisis software.
As a result of this there is now greater control over the parameters used in the diag process. The help describes these paramters:
diagnose(self, white, **kwargs) unbound DirectEnergyConversion.DirectEnergyConversion method
Run diagnostics on the provided workspaces.
This method does some additional processing before moving on to the diagnostics:
1) Computes the white beam integrals, converting to energy
2) Computes the background integral using the instrument defined range
3) Computes a total count from the sample
These inputs are passed to the diagnostics functions
Required inputs:
white - A workspace, run number or filepath of a white beam run. A workspace is assumed to
have simple been loaded and nothing else.
Optional inputs:
sample - A workspace, run number or filepath of a sample run. A workspace is assumed to
have simple been loaded and nothing else. (default = None)
second_white - If provided an additional set of tests is performed on this. (default = None)
hard_mask - A file specifying those spectra that should be masked without testing (default=None)
tiny - Minimum threshold for acceptance (default = 1e-10)
huge - Maximum threshold for acceptance (default = 1e10)
bkgd_range - A list of two numbers indicating the background range (default=instrument defaults)
van_out_lo - Lower bound defining outliers as fraction of median value (default = 0.01)
van_out_hi - Upper bound defining outliers as fraction of median value (default = 100.)
van_lo - Fraction of median to consider counting low for the white beam diag (default = 0.1)
van_hi - Fraction of median to consider counting high for the white beam diag (default = 1.5)
van_sig - Error criterion as a multiple of error bar i.e. to fail the test, the magnitude of the
difference with respect to the median value must also exceed this number of error bars (default=0.0)
samp_zero - If true then zeroes in the vanadium data will count as failed (default = True)
samp_lo - Fraction of median to consider counting low for the white beam diag (default = 0)
samp_hi - Fraction of median to consider counting high for the white beam diag (default = 2.0)
samp_sig - Error criterion as a multiple of error bar i.e. to fail the test, the magnitude of the
difference with respect to the median value must also exceed this number of error bars (default=3.3)
variation - The number of medians the ratio of the first/second white beam can deviate from
the average by (default=1.1)
bleed_test - If true then the CreatePSDBleedMask algorithm is run
bleed_maxrate - If the bleed test is on then this is the maximum framerate allowed in a tube
bleed_pixels - If the bleed test is on then this is the number of pixels ignored within the
bleed test diagnostic
print_results - If True then the results are printed to the screen
If print_results=True then the results table will include the number of detectors masked form the hard mask file.
SofQW2#
The 2D rebinning of SofQW2 has been improved in both speed and accuracy. The gaps on the MARI instrument can be seen clearly and the algorithm appears to do a good job on rebinning on a variety of inelastic instruments (both Direct & Indirect).
The image below shows a MARI dataset that has been converted to energy transfer and rebinned with Q bins [0,0.03,12] using SofQW2
The output from SofQW2 can fed into ConvertToMDEvents and then display in the SliceViewer where more complex cuts can be made.
Bugs Fixed#
A bug with normalising the short tubes on MERLIN has now been fixed. These tubes should now appear the same shade of colour as the longer tubes.