Changes in version 1.5 Changes in 1.5.0 - Add vignette for use and import of public mass spectral library data. - Add pre-computed vignette for advanced feature annotation using RuSirius and SIRIUS. Changes in version 1.4 Changes in 1.4.0 - Add Notame vignette. Changes in version 1.3 Changes in 1.3.2 - Add export for GNPS2 integration to main vignette. - Add summary plot for peakpicking results in main vignette. Changes in 1.3.1 - Expand the Dataset investigation vignette with an example to define background and foreground MS signal. - Fix CTR sample subsetting in the MS2 annotation part of the main vignette. Changes in 1.3.0 - Update to Bioc 3.22 Changes in version 1.2 Changes in 1.2.2 - Expand the Dataset investigation vignette with an example to define background and foreground MS signal. Changes in 1.2.1 - Addition of libary(knitr) in end-to-end workflow. Changes in 1.2.0 - Addition of a new vignette depicting a large scale processing using xcms. Due to its size, this is added as a pre-computed vignette to prevent re-knitting as much as possible. - Docker image now based on the stable version of Bioconductor (3.21) instead of devel. Changes in version 1.1 Changes in 1.1.2 - Adding authors that have contributed to specific method/vignettes to the respective vignette's header. - Update README.md to add the link to SpectriPy vignette. - fix ORCID in description so it gets recognize as an ORCID. Changes in 1.1.1 - Update docker to skip installation of R packages and caching of data files for the root user. - Fix GHA to properly install all Python libraries during library(SpectriPy). Changes in 1.1.0 - Add a vignette for combined R/Python data analysis using reticulate and SpectriPy. Changes in 1.1.0 - Addition of a devel branch to the repository to maintain a stable version. Changes in 1.0.1 - Minor fixes of DESCRIPTION and .yml - Addition of a devel branch to the repository to maintain a stable version. Changes in 1.0.0 - More plots in the data investigation vignette. - In the main end to end vignette: added saving of the Spectra object with the significant features associated MS1 and MS2 data. To be used later by other vignettes. Changes in version 0.0 Changes in 0.0.7 - Fix typo and cut-off for MS2 annotation. - Updated figure numbering. - Added acknowledgment to community. - added a figure in retention time alignment vignette. Changes in 0.0.6 - Moving The PercentMissing filtering at the end of the pre-processing steps as it needs to be done before normalization. - Addition of collapsing code to improve readability. - Reduction of table size Changes in 0.0.5 - Require MsIO version 0.0.8 to allow reading of stored MsBackendMetaboLights objects. - Small updates and changes to the Seamless Alignment vignette: - simplify import of previously stored result object - avoid using the variable name param for every parameter object Changes in 0.0.4 - Required alabaster.se. - In the end-to-end vignette: - Removal of Spectra data in depth visualisation to move to the Data investigation vignette - Removal of internal standard matching to features in the Normalization part. - Save an load lcms1 and res object from the end-to-end workflow to be used in the Seamless Alignment vignette. Using MsIO and alabaster.se Changes in 0.0.3 - Require xcms version 4.3.4 and install the package from github. Changes in 0.0.2 - Switch to Quarto instead of Rmarkdown - Addition of Alignment to reference dataset vignette - Addition of the Data investigation vignette - Addition of the Install vignette Changes in 0.0.1 - Addition of basic files for a workflow package. - Addition of the end-to-end vignette.