cheminfo / nmrium

React component to display and process nuclear magnetic resonance (NMR) spectra.
https://docs.nmrium.org
MIT License
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Problems with phasing #352

Closed evaziegler closed 4 years ago

evaziegler commented 4 years ago

o-toluidin_95-53-4_13c.zip

I wanted to analyse the attached spectra. If I chlick "phase correction" (1H), the program shows me the message "something went wrong". If I click on details, I can read:

TypeError: F[e] is undefined

in uo
in g
in ForwardRef
in po
in svg
in ForwardRef
in div
in Ai
in div
in Ni
in $o
in div
in t
in div
in t
in div
in ForwardRef
in Kt
in div
in div
in ForwardRef
in s
in x
in Sn
in t
in nc
in div
in l
in t
in t
in Suspense
in div
in div
in t
in _
in t
in t
in t
in t
nes-cgn commented 4 years ago

There are more phasing problems - if one imports the Bruker fid files in jcamp format, it is very difficult to do a phase correction. Kirk Marat's suggestion is that this is due to the delay resulting from the digital filter when acquiring the FID. SpinWorks can handle this, and Kirk offered to help us. Attached are the screenshots of the same FID treated by our displayer and SpinWorks

phasing_060320_ii phasing_FID_SpinWorks4 phasing_FID_SpinWorks4_ii phasing_FID_SpinWorks4_iii

jwist commented 4 years ago

The implementation was not correct in our code. It is now solved for recent data with digital filter.