Crandore Hub

isoorbi

Process Orbitrap Isotopocule Data

Read and process isotopocule data from an Orbitrap Isotope Solutions mass spectrometer. Citation: Kantnerova et al. (Nature Protocols, 2024).

README

# RAW file information

Any raw files and cached raw files larger than 1 MB have been moved to https://github.com/isoverse/isodata to ensure small package sizes for CRAN.


# ISOX file information

testfile_dual_inlet.isox
- measured on January 25th 2022 by Kristýna Kantnerová on Q Exactive HF
- reference - USGS34
- sample - USGS32
- method file "20220125 DI noM0 10ea_70min 15k 5uScans.meth"
- raw file "20220125_01.raw"
- based on testfile_DualInlet.isox
- 3 injections, ref-sam-ref
- 1st injection - ref #1, scans 1-278 (0.005-1.000 min); in original file scans 1-278 (0.005-1.000 min)
- 2nd injection - sam #1, scans 279-585 (1.002-1.997 min); in original file scans 3122-3428 (11.002-11.997 min)
- 3rd injection - ref #2, scans 586-864 (2.002-3.000 min); in original file scans 6195-6473 (21.002-22.000 min)

testfile_FlowInjection_DataExploration.isox
- measured on XXX by XXX on XXX
- 3 samples - s3744, ac5, ac6
- method file "XXX.meth"
- raw file "XXX.raw"

testfile_flow.isox
- based on testile_FlowInjection_DataExploration.isox
- 1st sample - scans 1-430 (0.002-0.999 min)
- 2nd sample - scans 1-430 (0.002-0.999 min)
- 3rd sample - scans 1-430 (0.002-0.999 min)

Versions across snapshots

VersionRepositoryFileSize
1.5.2 rolling linux/jammy R-4.5 isoorbi_1.5.2.tar.gz 2.3 MiB
1.5.2 rolling linux/noble R-4.5 isoorbi_1.5.2.tar.gz 2.3 MiB
1.5.2 rolling source/ R- isoorbi_1.5.2.tar.gz 2.4 MiB
1.5.2 latest linux/jammy R-4.5 isoorbi_1.5.2.tar.gz 2.3 MiB
1.5.2 latest linux/noble R-4.5 isoorbi_1.5.2.tar.gz 2.3 MiB
1.5.2 latest source/ R- isoorbi_1.5.2.tar.gz 2.4 MiB
1.5.2 2026-04-26 source/ R- isoorbi_1.5.2.tar.gz 2.4 MiB
1.5.2 2026-04-23 source/ R- isoorbi_1.5.2.tar.gz 2.4 MiB
1.5.2 2026-04-09 windows/windows R-4.5 isoorbi_1.5.2.zip 2.3 MiB
1.3.1 2025-04-20 source/ R- isoorbi_1.3.1.tar.gz 2.6 MiB

Dependencies (latest)

Imports

Suggests