load_cs_data: Chemical Shift Data Loading Function

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

Description

This function allows you to load chemical shift data from file

Usage

load_cs_data(csfile, remove_assigned = FALSE, accuracyFile = NULL,
  cs_offset = NULL, residues = NULL, atomBasedWeights = FALSE,
  names = c("processor", "model", "resid", "resname", "nucleus",
  "predCS", "expCS", "randCS", "id"))

Arguments

csfile	input file name
remove_assigned	remove data with zero values? Defaults to FALSE
accuracyFile	expected accuracy file. Defaults to NULL
cs_offset	file containing offsets. Defaults to NULL
residues	vector of residues to retain data for. Defaults to NULL
atomBasedWeights	vector of specifying the residues for to data will be retained. Defaults to NULL
names	vector of column names. Defaults to c("processor","model","resid","resname","nucleus","predCS","expCS","randCS","id")

Examples

load_cs_data("data/predicted_shifts.txt")

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