PDA Viewer for Thermo Scientific Raw Files
Application, Released Feb. 2024
Python/Qt application which simplifies the analysis of Thermo Scientific UPLC Raw files. Built upon the company’s CommonCore DLLs, this program isolates the data from the PDA detector and generates publication-ready graphics.
Molecular Formula and Exact Mass Calculators
Web Application, Released Feb. 2024
Online webpages that use JavaScript to a) algorithmically recommend formulas for observed masses in high-resolution mass spectrometry and b) find the exact mass of a given molecular formula.
ChIMS: Chamber Instrument Management System
Application/Database, Released Dec. 2023
C++/Qt application which integrates various aerosol generation chamber instruments. Records time-based measurements, provides live analytical feedback, and stores result files in a collaborative MongoDB database. Interfaces with instruments via IP and RS232 serial ports.
DaltonView
Application, Released Nov. 2022
Executable application written in Python/Tk which extracts spectral information from a quantum chemical output file (currently supports Gaussian, GAMESS, & Q-Chem), produces an exportable table, and generates a manipulable spectrum.