External cavity quantum cascade laser vibrational circular dichroism spectroscopy for fast and sensitive analysis of proteins at low concentrations (Data analysis)
Authors/Creators
- 1. TU Wien
- 2. Technische Universität Wien Fakultät für Technische Chemie
- 3. NIST Center for Nanoscale Science and Technology
Description
This record contains a docker container image of the data evaluation shown in the publication "External cavity quantum cascade laser vibrational circular dichroism spectroscopy for fast and sensitive analysis of proteins at low concentrations". The evaluations can be accessed by running the container and accessing the contained Jupyter Lab via a browser. The calculations are contained in 'Eval_protein_D2O.ipynb'.
To run the container (requires docker):
1.download 'd2o_vcd.tar'
2. in the command line, execute 'docker load -i d2o_vcd.tar'. This will return something like 'Loaded image: <image_name>' with image_name probably being "drhermann/vcd_d2o_00:trial_03"
3. then 'docker run -p 8889:8889 <image_name>' replacing the brackets with the actual name of the image, such as drhermann/vcd_d2o_00:trial_03
4.In your command line a link starting in 'http://127.0.0.1:8888/lab?token=...' will appear. Open this link in your browser to access the evaluation.
Notes
This work has received funding by the Austrian Wirtschafts- 516
service (AWS, project no. P2389335).
Files
Files
(2.3 GB)
| Name | Size | |
|---|---|---|
|
md5:fd955cbb500f617f9550cac37daa755a
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2.3 GB | Download |
Additional details
Related works
- Is published in
- Publication: 10.1021/acs.analchem.4c03498 (DOI)