NEWS: TPP Version 1.0.0: o First release of the TPP package for analyzing Thermal Proteome Profiling experiments. Version 1.1.0: o Changes in devel will be characterized by version number 1.1.x Version 1.1.1: o bugfixes in config table import from .csv files: 1. can now handle different types of delimitors (";", "\t", ",") 2. automatically removes empty rows after import Version 1.1.2: o the recent update of the gridExtra package to Version 2.0.0 required a small fix to ensure sucessful plotting of the melting curves and parameter tables, as well as correct display of QC 'bottleplots'. Version 1.1.3: o fixed problem in QC-plot generation due to the gridExtra package update: adapted height parameter in grid.arrange Version 1.1.4: o Curve parameters "a" and "b" are now reported in the output of analyzeTPPTR and tpptrCurveFit. Version 1.2.5: o CCR-part: fold changes can now be normalized to their lowest temperature during import by the function tppccrNormalizeToReference. This ensures that the transformed values will always be between 0 and 1. When normalizing to the lowest concentration, and this value is 0, a small constant (1e-15) is added to prevent division by zero. o CCR-import: Argument nonZeroCols can be NULL if no additional filtering is needed. o CCR output: To make filtering easier, the 'passed_filter' column now shows FALSE even if proteins could not be used for fitting (instead of NAs). o CCR output: To make filtering easier, the 'passed_filter' column now shows FALSE even if proteins could not be used for fitting (instead of NAs). o CCR output: column with normalization results was renamed from 'normalized' to 'median_normalized' to distinguish from the newly introduced normalization to value at lowest concentration. o Excel export: Columns are only color-coded by experiment, when the number of experiments is > 1. o Excel export: Columns are only color-coded by experiment when the number of experiments is > 1. o Excel export: Relative paths to the plots work now for TR- and CCR part o Bug fix for data import: Unique identifiers now treated correctly again. o Bug fix for Excel output: Boolean column entries are only transformed to "yes"/"no" for non-missing values. o Bugfix in TR-QC plots: do not attempt to create Tm difference histograms if only one experiment is provided. o Bugfix in TR normalization: fixedReference argument works again o Bugfix in TR-QC plots: do not attempt to plot minSlope vs. Tm-diffs if no valid Tm-diff values are available. Version 2.1.0: o Major update to the CCR-part: It is now possible to fit and plot multiple experiments simultaneously. o It is now possible to perform user-specified comparisons of different experiments. They are specified in the 'comparison' column of the config table. o TR-part: Hypothesis testing is now separated from result table creation. Therefore, a new function was introduced (tpptrAnalyzeMeltCurves) -> see vignette. o CCR-part: Curve fitting and plotting are now conducted by separate functions -> see vignette. o Bug fixes o Introduced color coding of the columns belonging to different experiments in the excel output. This requires openxlsx version >= 2.4.0. o The CCR workflow now only returns normalized measurements if normalization was actually performed. Unmodified measurements are always returned and indicated by the suffix 'unmodified'. o Data import from tab-delimited files now ignores quotes so that protein annotation fields can contain single ' or " characters. o Now enabling arbitrary numbers of plot colors for melting curves or dose response curves. Version 2.1.1: Updated package vignette. 2.1.2 (Nov-19-2015): o Bugfix in config table import: All non-alphanumeric characters in the Experiment column are now replaced by'_'. o Bugfix in QC scatter plots: Can now handle cases where protein IDs do not overlap between experiments, or where the temperatures differ between experiments. The affected plots are left empty and contain a message to explain the problem. 2.1.3 (Dec-17-2015): o Added column 'pEC50_quality_check' to CCR output to filter out pec50 values not within concentration ranges. 2.1.4 (Dec-23-2015) o Removed example dataset containing fitted data from the Data folder in order to reduce the overall package size (it was only used by some examples in the function documentation). o Minor changes to documentation in order to ensure that R CMD check and BiocCheck run again without warnings. 2.1.5 (Jan-04-2015) o Now selectively importing functions from grid and gridExtra package to prevent 'double import' warning due to recent changes in ggplot2. 2.1.6 (Jan-18-2016) o New CCR output column 'pEC50_quality_check' now reports pec50 values with the same sign as the 'pec50' column. 2.3.2 (Apr-16-2016) Removed unit test that causes R CMD check to crash since the latest update of package 'testthat'. 2.3.3 (Jun-02-2016) Fixed bug in plotColors for the case when no comparisons are specified 2.99.0 (Oct-06-2016) o Major update: Extended package to analyze 2D-TPP experiments o Major update: Extended package to analyze TPP-TR experiments by "non-parametric analysis of response curves" (NPARC), a non-parametrc spline-based test for treatment effects. o Bugfix in 'tpptrCurveFit': restrict file names to 255 characters when creating melting curve plots in order to prevent file system crashes. o New packages dependencies: dplyr, margrittr o Bugfix in CCR workflow: avoid division by 0 when transforming foldchanges before dose-response curve fitting. 2.99.1 (Oct-12-2016) o Remove the complex reference data object from the data folder. Will be re- introduced lalter in a leaner format. 2.99.2 (Oct-12-2016) o Reduce data by "xz" compression 2.99.3-5 (Oct-16-2016) o Adapt notation of function names and input arguments for consistency with 1D (TPP-TR and TPP-CCR) part. 3.0.0 (Oct-18-2016) o New Bioconductor release candidate! Changes in version 3.1.3 (Dec-07-2016): o Bug fix: ensure correct handling of drug concentrations when they are imported in scientific notation (xx.xxE-x) Changes in version 3.1.3 (Feb-05-2017): o Deprecate functions and arguments, primarily those used in the first version of TPP-2D analysis workflow. o Bug fixes: - sort x and y values before DR curve fitting because the functions for initial parameter estimation are dependent on the correct ordering - supress useless VD logfiles when creating VENN diagrams Changes in version 3.2.0 (Feb-13-2017): o Changes to the Excel output of TPP-TR experiments: - Plot paths in excel output are stored in separate columns for spline and melting curve fits - Reported p-values for Tm based analysis are now increased in value after removing a bug in their calculation. The thresholds applied for determining significant hits have been updated justed accordingly. o Improvements to the 2D-TPP analysis: - Split rows with multiple identifiers (e.g. separated by '|') into separate rows (was already present in TR- and CCR analysis) - Sort result table rows by temperature for each ID Changes in version 3.2.2 (Mar-12-2017): o Bug fix in the TPP-TR analysis: - It is now possible to leave the 'otherRequirements' slot empty in the object containing the normalization criteria. 3.4.0 (May-01-2017) o New Bioconductor release candidate!