Skip to main content

# PocketChemist - NMR

The pocketchemist NMR plugin is used to process and analyze data from Nuclear Magnetic Resonance (NMR).

## Contributing

### Procedure for new processing Methods

  1. Implement the new procedure in the NMRSpectrum abstract base class

  2. Implement metadata updates in the NMRSpectrum concrete subclasses as well as implementation details through parameters in the called parent method

  3. Implement the CLI for the new process

  4. Add tests to verify that the implementation matches an existing processed spectrum, if it exists

  5. Add documentation for the new CLI functionality and python interface on the new process

  6. Increase the minor version

# Credits

Metadata

Release files for pocketchemist-nmr 0.2.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pocketchemist-nmr 0.2.1
File Size Uploaded
pocketchemist-nmr-0.2.1.tar.gz 40.6 kB Details

Built distribution (wheel)

Table of built distributions (wheels) for pocketchemist-nmr 0.2.1
File Interpreter ABI Platform
pocketchemist_nmr-0.2.1-py3-none-any.whl Python 3 none any Details

Total release size: 88.3 kB

Release files / pocketchemist-nmr-0.2.1.tar.gz

Download URL pocketchemist-nmr-0.2.1.tar.gz
Size 40.6 kB
Tags Source
SHA-256 checksum
How to use checksums
4f48d7398caf16a9ce2b7ce1f230672cb0cac702596a7a05a8e659ec1c4262bd
BLAKE2b-256 checksum
How to use checksums
aa6fe6bbdc63365a7deb8bab57e635d200ec8e03aff5fc7e6dccd2305805302d
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via twine/4.0.0 CPython/3.9.12

Release files / pocketchemist_nmr-0.2.1-py3-none-any.whl

Download URL pocketchemist_nmr-0.2.1-py3-none-any.whl
Size 47.7 kB
Tags Python 3
SHA-256 checksum
How to use checksums
a6cd314c058b9256482257f3a92d2b9cac66f2d78f0ab130e961c90fb38d1135
BLAKE2b-256 checksum
How to use checksums
00c229587ac35c35e7d820154f1d6fca483d519d871ce8961ae67bb751e72bb1
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via twine/4.0.0 CPython/3.9.12

Release history Release notifications | RSS feed

This release

0.2.1 This release

2 release files

0.1.0

2 release files

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page