Some software tools I developed during my PhD to facilitate easier and more reproducible analysis of chemical data.
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									  chromatographR : Chromatographic Data Analysis Toolset  
									Github
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									  mzinspectr:   Read and Analyze Mass Spectrometry Alignment Files .
									Github
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									  zerenebatchR:  Utility for Batch Processing Images in Zerene Stacker .
									Github
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									  ShinyChromViewer:  Shiny Gadget for Interactive Viewing and Exploration of Chromatograms .
									Github
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									  r2zotero:  Send Suggested R Package Citations Directly to Zotero .
									Github
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									  VPdtw:  Variable Penalty Dynamic Time Warping .
									Github
									
									
									
									
 
									
 
									
 
									  
									  
									I am also the current maintainer of the   VPdtw:  Variable Penalty Dynamic Time Warping,  originally developed by David Clifford  and  Glenn Stone . I rescued this package from the CRAN archive and now use it as one of the options in chromatographR for aligning chromatograms.
									
									I have also contributed code to several other open source software projects:  
										  webchem:  Chemical Information from the Web 
										Github
										
										   RaMS:  R-based access to Mass-Spectrometry data 
										 
										   Entab:   * -> TSV