sita-core
Natural-abundance correction for GC-MS mass distribution vectors from 13C stable-isotope tracer experiments.
Pure-Python library implementing the corrections described in Nanchen, Fuhrer & Sauer (2007) Determination of Metabolic Flux Ratios From 13C-Experiments and Gas Chromatography–Mass Spectrometry Data, Methods in Molecular Biology 358.
Install
pip install sita-core
Usage
from sita_core import LabelledCompound
ala = LabelledCompound(
formula="C11H26NO2Si2",
labelled_element="C",
backbone_c=3,
mdv_a=[0.6228, 0.1517, 0.0749, 0.1507],
)
corr = ala.correction_matrix()
mdv_star = ala.mdv_star()
See the project repository for the full documentation, CLI, and Flask UI.
1 maintainer
Metadata
1 maintainer
Release files for sita-core 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| sita_core-0.1.0.tar.gz | 7.9 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| sita_core-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 13.8 kB
Release files / sita_core-0.1.0.tar.gz
| Download URL | sita_core-0.1.0.tar.gz |
|---|---|
| Size | 7.9 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
e4a9d5846b3f581e9344172e666347d6b6ba30c6bb051d047a52360cc997ab7e
|
|
BLAKE2b-256 checksum How to use checksums |
6dbe58c75590752277114ac3b93107b058347d7af19d4e32c116985dd0829330
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.6.5
|
Release files / sita_core-0.1.0-py3-none-any.whl
| Download URL | sita_core-0.1.0-py3-none-any.whl |
|---|---|
| Size | 5.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
f8773e523017f597da2c58e6ff1c6a9da63e226f683b5f262a4623fe521d86f2
|
|
BLAKE2b-256 checksum How to use checksums |
5451ae8acad112aa1e3351871779a1da7c0dce1957152edebb9ebbcbbd5ed033
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.6.5
|
