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✨ Implement spectrotemporal models as implemented in paramGUI #750

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joernweissenborn opened this issue Jul 15, 2021 · 2 comments · Fixed by #747
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✨ Implement spectrotemporal models as implemented in paramGUI #750

joernweissenborn opened this issue Jul 15, 2021 · 2 comments · Fixed by #747
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@joernweissenborn
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joernweissenborn commented Jul 15, 2021

A spectrotemporal model for fitting time-resolved spectroscopy data is described in the paper
Global and target analysis of time-resolved spectra DOI: 10.1016/j.bbabio.2004.04.011

A public implementation is available in the R package paramGUI.

This issue is about implementing equivalent functionality, but implemented using megacomplex composition.

A repository for validation example code can be found here: pyglotaran-validation this contains the (reference) paramGUI examples to test the implantation against.

@joernweissenborn joernweissenborn added the Type: Enhancement Feature requests label Jul 15, 2021
@jsnel jsnel linked a pull request Aug 13, 2021 that will close this issue
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jsnel commented Aug 13, 2021

This has been implemented on staging. Validation of functionality was performed using scripts found in the pyglotaran-validation repository.

Issue should be closed when staging is merged to main, see: #777

@jsnel jsnel added this to the v0.5.0 milestone Sep 16, 2021
@jsnel jsnel changed the title ✨ Implement SpectralTemporal According to TIMP ✨ Implement spectrotemporal models as implemented in paramGUI Sep 16, 2021
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jsnel commented Sep 16, 2021

Staging was merged into main with #778 so it's in, and it was validated against paramGUI.

@jsnel jsnel closed this as completed Sep 16, 2021
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