msp2spectra
Example data for `MetCirc`: `msp2spectra`
Bundled with MetCirc · exported, loads via data()
Class
data.frame
Dimensions
1,024 × 2
Missing
0
Format
rda · gzip
version 2 · 9.7 KB
File
data/convertMsp2Spectra.RData
Fingerprint
567eb28f
About this object
A list of equal-length columns presented as a table. Almost everything rectangular in R inherits from it, which is why the class column so often has more than one entry. R object catalogue
Columns
Column
Type
Distinct
Missing
Summary
V1factor6520Comment:22FORMULA:22INCHIKEY:22INSTRUMENT:22INSTRUMENTTYPE:22IONMODE:22+646 more
Comment:22FORMULA:22INCHIKEY:22INSTRUMENT:22INSTRUMENTTYPE:22IONMODE:22+646 more
Levels
652
Used
652
Rows per level, the 50 commonest of 652
Comment:22FORMULA:22INCHIKEY:22INSTRUMENT:22INSTRUMENTTYPE:22IONMODE:22LINKS:22NAME:22Num Peaks:22PRECURSORMZ:22PRECURSORTYPE:22RETENTIONTIME:22SMILES:2221170.9147235.9837254.027267.0517164.9396190.9516225.0164106.9673150.9153164.943176.933177.9643225.0273241.0463243.02473120.9412134.9872135.00542143.04712150.9262150.99992152.00332154.03892160.9122163.00092164.9312167.04662169.0112169.06072178.9142181.06262182.9442192.9452223.03662238.9732245.04222
V2factor7000 43DI-ESI-qTof 34-1 22[M-H]- 22Negative 22DI-ESI-Ion Trap 10+694 more
43DI-ESI-qTof 34-1 22[M-H]- 22Negative 22DI-ESI-Ion Trap 10+694 more
Levels
700
Used
700
Rows per level, the 50 commonest of 700
43DI-ESI-qTof 34-1 22[M-H]- 22Negative 22DI-ESI-Ion Trap 10983 83708 75256 7663 7144 68696 69479 6109 4160 42344 4250 4284 4414 4124 3138 3150 3152 31604 3186 31894 32134543 3229 3232 3234 3269.0455469 3307 3365 350 3509420 390745 396748 3C15H10O5 3100299 21025 2115 2116 21166 21176 21180 2121 21232 2125 21280 2129 2
Same structure in 2 other datasets
These datasets share the same columns and types but hold different data.
Version history
| Version | Released | Rows × Cols | Change | Stored as | Confidence |
|---|---|---|---|---|---|
| 3.23 | 2026-04-28 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.22 | 2025-10-29 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.21 | 2025-04-15 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.20 | 2024-10-29 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.19 | 2024-04-30 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.18 | 2023-10-24 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.17 | 2023-04-25 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.16 | 2022-11-01 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.15 | 2022-04-26 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.14 | 2021-10-26 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.13 | 2021-05-19 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.12 | 2020-10-27 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.11 | 2020-04-27 | 1,024 × 2 | Unchanged | rda · gzip version 2 · 9.7 KB | exact |
| 3.10 | 2019-10-29 | 1,024 × 2 | – | rda · gzip version 2 · 9.7 KB | exact |