hein-hplc 0.2.5

This web app analyze deconvoluted HPLC peaks and plot time course data

Hein HPLC - peak deconvolution and time course plot

Description

This Dash web app aims to perform peak deconvolution without peak assignment or manual baseline correction. This app is developed by mainly referencing HPLC chromatograph. However, by modifying the default peak detection width, this app should be compatible with general peak analysis. It is also capable of processing multiple HPLC data and generating peak area over sample profile in csv.

Installation - pip

pip install hein-hplc

Usage

Run the app.py or use the command below. Click the url displayed in Terminal (default: http://localhost:8050), upload .csv or .UV file to get started. Ctrl+C to stop the app.

hein-hplc

Data format

Chemstattion .UV

Support chemstation .UV file

CSV

For data in .csv, column names are not required. For time course plot (example in sample_data.csv), the column name should be TIME (HH:MM:SS). You can append as many as columns with the same retention time scales.

Retention Time minutes	10:39:56	10:55:59	11:11:43	...
0.00125	0.42767	0.09733	0.02217	...
0.00292	0.41933	0.086	0.01417	...
0.00458	...	...	...	...

Authors

Ivory Zhang | Hein Lab ([e-mail])

License

This project is licensed under the MIT License - see the LICENSE file for details.

Publication

v0.1.0 was published in

Liu, J.; Sato, Y.; Kulkarni, V. K.; Sullivan, A. I.; Zhang, W.; Crudden, C. M.; Hein, J. E. Insights into the synthesis of NHC-stabilized Au nanoclusters through real-time reaction monitoring. Chem. Sci., 2023, 38(14), p. 10500-10507.

App screenshot