Description Usage Arguments Value See Also Examples
Reformats the output dataframe from fetch_entry_chemical_shifts into a simple dataframe that contains algorithmically combined proton shifts in two columns. This will be helpful to plot TOCSY(TOtal Correlation SpectroscpY) spectrum
1 | convert_cs_to_tocsy(csdf)
|
csdf |
chemical shift data frame from fetch_entry_chemical_shifts |
R data frame that contains all possible combinations of proton chemical shifts in two columns
convert_cs_to_c13hsqc
and convert_cs_to_n15hsqc
1 2 3 4 | df<-fetch_entry_chemical_shifts(15060)
# Downloads data from BMRB
tocsy<-convert_cs_to_tocsy(df)
# Reformats for easy plotting
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