add_cs_weights: Differential Weighting Function

In atfrank/nmR: Functions for the Analysis and Comparison of NMR Data

Description

This function allows you to add weights chemical shift data

Usage

add_cs_weights(cs_input, weights, atomBasedWeights = FALSE)

Arguments

cs_input	chemical shift dataframe. Should contain field: resname, resid, nucleus, expCS.
weights	chemical shift weights dataframe. Should contain field: nucleus and weight.
atomBasedWeights	should weights by added based on nucleus type and resname. If TRUE, weights dataframe should also contain a resname field. Defaults to FALSE.

Examples

add_cs_weights(cs, weights, atomBasedWeights=FALSE)
add_cs_weights(cs, weights, atomBasedWeights=TRUE)

atfrank/nmR documentation built on May 10, 2019, 2:09 p.m.