Roszman1_opt: Quantum defects in iodine

In NISTopt: Nonlinear least squares examples from NIST in form of functions for optim() and optimx()

Description

The Roszman1 data frame has 25 rows and 2 columns of data on the number of quantum defects in iodine atoms at different energy states.

Format

This data frame contains the following columns:

y

A numeric vector of number of quantum defects.

x

A numeric vector of the excited energy state.

Details

These data are the result of a NIST study involving quantum defects in iodine atoms. The response variable is the number of quantum defects, and the predictor variable is the excited energy state. The argument to the ARCTAN function is in radians.

Source

Roszman, L., NIST (19??). Quantum Defects for Sulfur I Atom.

Examples

Try <- function(expr) if (!inherits(val <- try(expr), "try-error")) val
plot(y ~ x, data = Roszman1)
Try(fm1 <- nls(y ~ b1 - b2*x - atan(b3/(x-b4))/pi, data = Roszman1,
           start = c(b1 = 0.1, b2 = -0.00001, b3 = 1000, b4 = -100),
           trace = TRUE))
Try(fm1a <- nls(y ~ b1 - b2*x - atan(b3/(x-b4))/pi, data = Roszman1,
           start = c(b1 = 0.1, b2 = -0.00001, b3 = 1000, b4 = -100),
           alg = "port", trace = TRUE))
Try(fm2 <- nls(y ~ b1 - b2*x - atan(b3/(x-b4))/pi, data = Roszman1,
           start = c(b1 = 0.2, b2 = -0.0000015, b3 = 1200, b4 = -150),
           trace = TRUE))
Try(fm2a <- nls(y ~ b1 - b2*x - atan(b3/(x-b4))/pi, data = Roszman1,
           start = c(b1 = 0.2, b2 = -0.0000015, b3 = 1200, b4 = -150),
           alg = "port", trace = TRUE))

NISTopt documentation built on July 25, 2017, 3:01 p.m.