calculate_mse: Calculates mean squared error

In BaMORC: Bayesian Model Optimized Reference Correction Method for Assigned and Unassigned Protein NMR Spectra

Description

This function will return a mean squared error between estimated density of amino acid typing and secondary structure combination based on the given dataset and reference correction values for the alpha and beta carbons. The estimated amino acid typing density is based on the BaMORC method.

Usage

calculate_mse(step_ca, step_cb, dat_cacb, aa_Freq)

Arguments

step_ca	Potential correction value for alpha carbon.
step_cb	Potential correction value for beta carbon.
dat_cacb	Chemical shift data frame of alpha and beta carbons.
aa_Freq	Actual amino acid typing and secondary structure frequency calculated basing on provided protein sequence.

Value

Mean squared error.

Examples

# chemicalShifts and aaFreq are predefined sample variables for demo purpose.

calculate_mse(step_ca=1, step_cb=1, dat_cacb=chemicalShifts[, c(3,4)], aa_Freq=aaFreq)

BaMORC documentation built on May 1, 2019, 6:35 p.m.