model_erorrs: Model Errors Function

Description Usage Arguments Examples

Description

This function allows you to computes the error for each indiviudal model (or conformer)

Usage

1
model_erorrs(cs_input, errorType)

Arguments

cs_input

chemical shift dataframe. Should contain field: resname, resid, nucleus, expCS, weight.

n_total

total number of samples. Defaults to 1000

cycles

number of random ranking to generate. Default to 10000.

Examples

1
random_nslr(10, n_total = 100, cycles = 1000)

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