NMR Web Apps
Some small applications made using Streamlit and deployed with Streamlit Community Cloud.
Last updated
Some small applications made using Streamlit and deployed with Streamlit Community Cloud.
Last updated
Just click on the link beside the script. It takes a while for the initial run as the service needs to wake up. As I am using free service, the apps go to sleep when not used for sometime. Once it starts, everything should be fast.
On your computer install git. For windows download it from the . It is also available on CEA Centre Logiciel.
On the git terminal, called Git Bash, clone with the command:
Now you will have a directory called nmr_webapps
Navigate to the src folder.
Assuming that you have Python installed in your computer, write:
or run:
and then run the code using
It will start a local server and the scripts will run from there.
The script reads the NMR properties of a nucleus from a .csv file and calculates the dipolar coupling based on the input distance in Angstrom. Alternatively it can also calculate the distance if the user inputs the dipolar coupling.
The script calculates the temperature of a sample, based on the relaxation time of $^79$Br in KBr. More details are in the app.
The script calculates the inadequate efficiency based on the relaxation time ($T'_2$) and the J-coupling between the nuclei under observation.
The scripts helps to calculate the weight of the biradical for a needed concentration where the user knows the volume needed, or calculate the volume of solution for a given weight.
The code gives the recycle delay at which you can ontain the maximum sensitivity. It calculates the build up of the signal as a function of the relaxation time, and then calculates the differential of it. The relaxation modules supported are monoexponential, biexponential, and stretched expoenetial.
The script gives you the properties of a nuclei and its isotopes, based on the user selection.