NEWS.md

In serrsBayes: Bayesian Modelling of Raman Spectroscopy

serrsBayes 0.5-0

New Features

• Zero MCMC iterations will be performed if the number of unique particles is already >= minPart (adaptive number of MCMC steps)
• Replaced the default uniform prior distribution for the peak amplitudes with an exponential prior

Bug Fixes

• Merged pull request from Rcpp team to use constant M_PI instead of PI to support STRICT_R_HEADERS
• Fixed issue with plots in Introduction vignette
• Fixed broken link to EPSRC grants website (now uses UKRI Gateway to Research)
• Added package Hmisc to suggests to fix Undeclared package in Rd xrefs NOTE on CRAN
• Try-catch when computing Cholesky decomposition of the Gaussian random walk variance-covariance matrix (fallback to diagonal matrix by default)
• Removed Travis CI from README, since builds have ceased on June 15, 2021

serrsBayes 0.4-2

New Features

• MCMC iterations will stop when temp ESS reaches the total number of particles (adaptive number of MCMC steps)
• Added DOI from Zenodo to CITATION file.

Bug Fixes

• Fixed issue with digits = 0 in vignettes (CRAN WARN)
• Removed obsolete call to Rcpp::LdFlags() from Makevars.win
• Added fallback to boost MCMC acceptance rate if it falls below 15% of proposals
• Regenerated the datasets result.rda & result2.rda to adjust for the new way of calculating FWHM

serrsBayes 0.4-1

New Features

• Added example of fitSpectraSMC with informative priors to the methanol vignette.

Bug Fixes

• Removed the R package hyperSpec from Suggests because it is no longer available on CRAN.
• Fixed dependency on hyperSpec in Introduction vignette due to new CRAN check. This also affects the TAMRA dataset.
• Fixed a rare bug in reweighting that could potentially result in an infinite loop.
• Peak locations are now constrained to lie within the range of observed wavelengths.
• Locations are sorted to preserve identifiability.
• Fixed error in equations for FWHM in mixedVoigt & getVoigtParam as well as in both vignettes.

serrsBayes 0.4-0

New Features

• OpenMP implementation of mhUpdateVoigt provides around 3x improvement in elapsed runtime
• New vignette illustrates when to use the 3 functions fitSpectraMCMC, fitSpectraSMC, and fitVoigtPeaksSMC
• New datasets methanol and TAMRA for use in the vignettes
• Debug output prints the means of the amplitudes of the peaks at each SMC iteration

Bug Fixes

• Fixed bug in fitVoigtPeaksSMC where it was using the upper-triangular instead of lower-triangular Cholesky factorisation to generate random-walk Metropolis proposals
• Introduction vignette no longer attempts to download a .zip file over HTTPS
• Deleted unused Rcpp function randomWalkVoigt

serrsBayes 0.3-13

• changed maintainer email address due to new academic affiliation
• hex sticker in README

serrsBayes 0.3-12

New Features

• Vignette with example for tetramethylrhodamine (TAMRA)
• pkgdown website https://mooresm.github.io/serrsBayes/

Bug Fixes

• Fixed compile errors on Solaris

serrsBayes 0.3-10

• First version released on CRAN

serrsBayes documentation built on June 28, 2021, 5:14 p.m.