diff --git a/_posts/2023-01-04-Reading-ThermoFischer-XCaliber-RAW-Files.md b/_posts/2023-01-04-Reading-ThermoFischer-XCaliber-RAW-Files.md index 6f3095f..0071c03 100644 --- a/_posts/2023-01-04-Reading-ThermoFischer-XCaliber-RAW-Files.md +++ b/_posts/2023-01-04-Reading-ThermoFischer-XCaliber-RAW-Files.md @@ -55,5 +55,5 @@ Note that RawTools appears to be a standalone tool with a GUI, so it can probabl # Continued readings and gleanings - (20 Jan 2023) Haas CP, Lübbesmeyer M, Jin EH, McDonald MA, Koscher BA, Guimond N, et al. Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening. ChemRxiv 2022. [doi:10.26434/chemrxiv-2022-0pv2d](https://dx.doi.org/10.26434/chemrxiv-2022-0pv2d) --- describes a python library for reading and processing and extracting information from a variety of HPLC machines/vendors. Subsequently published as MoccA in [ACS Central Sci 2023](https://pubs.acs.org/doi/10.1021/acscentsci.2c01042) -- (06 Jan 2024) Hillenbrand et al, Automated Processing of Chromatograms: A comprehensive Python Package with GUI for Intelligent Peak Identification and Deconvolution in Chemical Reaction Analysis [ChemRxiv 2024](https://dx.doi.org10.26434/chemrxiv-2024-nmnzp)---upgrade to MoccA (consider this the latest version) +- (06 Jan 2024) Hillenbrand et al, Automated Processing of Chromatograms: A comprehensive Python Package with GUI for Intelligent Peak Identification and Deconvolution in Chemical Reaction Analysis [ChemRxiv 2024](https://dx.doi.org/10.26434/chemrxiv-2024-nmnzp)---upgrade to MoccA (consider this the latest version) - (06 Jan 2024) McDonald et al, "Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients" [Chem Sci 2024](https://doi.org/10.1039/D4SC01881H) --- perhaps not strictly necessary, but useful task to remember.