RBMRB (version 2.1.7)

convert_cs_to_tocsy: Reformats chemical shift dataframe for easy plotting

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

convert_cs_to_tocsy(csdf)

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

# NOT RUN {
df<-fetch_entry_chemical_shifts(15060)
# Downloads data from BMRB
tocsy<-convert_cs_to_tocsy(df)
# Reformats for easy plotting
# }