convert_cs_to_tocsy: Reformats chemical shift dataframe for easy plotting

Description Usage Arguments Value See Also Examples

View source: R/RBMRB.R

Description

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

Usage

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Arguments

csdf

chemical shift data frame from fetch_entry_chemical_shifts

Value

R data frame that contains all possible combinations of proton chemical shifts in two columns

See Also

convert_cs_to_c13hsqc and convert_cs_to_n15hsqc

Examples

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df<-fetch_entry_chemical_shifts(15060)
# Downloads data from BMRB
tocsy<-convert_cs_to_tocsy(df)
# Reformats for easy plotting

RBMRB documentation built on Jan. 30, 2018, 5:03 p.m.