improve manual range picking n fix simulation of diagonal peaks in COSY prediction #3308
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jobo322
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Dec 3, 2024
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jobo322
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- fix the simulation of the peaks in the diagonal in COSY predicted spectra.
- improve auto-processing 2D raw data, apodization
- improve/fix the multiplicity determination by multiplet-analysis in manual range picking:
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- by phase the selected range data before analyze the multiplet
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- reduce criteria value for the selection of J coupling
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@lpatiny should we allow the prediction of COSY with cross-peaks with a path length of 4 bonds as max value? |
jobo322
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No we should not. But we have the couplings coming back from the prediction so we should check from the result if there are some couplings or not. I would put a threshold of 1.5Hz in order to display the cosy coupling or not. So we should not simply use 2J or 3J anymore but use the result from the prediction. |
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