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Check if simulation range is consistent w/instrument params #170

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briantoby opened this issue Apr 29, 2025 · 1 comment
Open

Check if simulation range is consistent w/instrument params #170

briantoby opened this issue Apr 29, 2025 · 1 comment
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enhancement New feature or request good first issue Good for newcomers Handholding Make the software more user-friendly, particularly for neophytes help wanted Extra attention is needed Someday... Problem noted, but will not be addressed right now.

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@briantoby
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When supplying a simulation range for a powder pattern simulation one can supply two theta or TOF values that are outside the range where profile terms compute as negative. Bad things happen in GSAS-II when trying to simulate under such circumstances, particularly with TOF.

Example: don't want to use the standard range here:
Image

@briantoby briantoby added enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed Someday... Problem noted, but will not be addressed right now. labels Apr 29, 2025
@briantoby
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This is the instprm file that created the above:
2022B_Dec_HighRes_60HzB3_CWL2p665.instprm.txt (rename from instprm.txt to .instprm). Works fine with Tmin of 20 ms which cuts the Qmax to ~7 Å.

@briantoby briantoby added the Handholding Make the software more user-friendly, particularly for neophytes label Apr 29, 2025
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Labels
enhancement New feature or request good first issue Good for newcomers Handholding Make the software more user-friendly, particularly for neophytes help wanted Extra attention is needed Someday... Problem noted, but will not be addressed right now.
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