Datasets:
record_id stringlengths 36 36 | concentration_ppm float64 100 50k | molecule stringclasses 1
value | temperature_K float64 291 302 | pressure_atm float64 0.95 1.07 | path_length_m float64 10 10 | instrument_config_id stringclasses 6
values | technique stringclasses 2
values | raw_scan listlengths 2k 2k | absorbance_clean listlengths 2k 2k |
|---|---|---|---|---|---|---|---|---|---|
00015808-fc65-447e-a883-ab3e6b3f07b2 | 6,563.855287 | CO2 | 296.069147 | 0.998276 | 10 | vi-co2-da-medium-18 | TDLAS-DA | [
0.9207104925837759,
0.9206189342611243,
0.9207104925837759,
0.9210767258743819,
0.9209851675517304,
0.9209851675517304,
0.9209851675517304,
0.9210767258743819,
0.9209851675517304,
0.9212598425196851,
0.9214429591649881,
0.9213514008423366,
0.9213514008423366,
0.9216260758102911,
0.921626... | [
0.00028852656832499573,
0.00028990920732661,
0.0002913020999536553,
0.00029270534799011604,
0.0002941190544775005,
0.00029554332372794235,
0.00029697826134816884,
0.0002984239742558666,
0.000299880570697618,
0.00030134816026986276,
0.0003028268539374726,
0.0003043167640610106,
0.000305818004... |
0002d12f-88a8-4284-b982-5844450d9f42 | 4,495.89305 | CO2 | 295.582348 | 0.995829 | 10 | vi-co2-da-medium-18 | TDLAS-DA | [
0.8403222852957334,
0.8405969602636879,
0.8408716352316425,
0.840780076908991,
0.8414209851675517,
0.8414209851675517,
0.8415125434902032,
0.8416041018128548,
0.8418787767808094,
0.8424281267167185,
0.8422450100714155,
0.8424281267167185,
0.84251968503937,
0.8424281267167185,
0.843160593... | [
0.00022880316779755815,
0.0002299728232642478,
0.00023115165963993886,
0.00023233977293609824,
0.00023353726040962867,
0.0002347442205750579,
0.00023596075322721949,
0.0002371869594656089,
0.00023842294170273924,
0.00023966880369734328,
0.00024092465056570382,
0.00024219058880987053,
0.00024... |
0008c8ae-d714-4dc0-8906-61e12f496135 | 314.395359 | CO2 | 296.00698 | 1.0001 | 10 | vi-co2-da-easy-17 | TDLAS-DA | [0.8812085145342183,0.8812314030670634,0.8813916227969787,0.881528953994049,0.8816433966582742,0.881(...TRUNCATED) | [0.000011044243745761154,0.000011093543865734809,0.000011143185831357909,0.000011193172830688284,0.0(...TRUNCATED) |
000c96e9-de3a-469d-9081-1ec77e8cc0c9 | 9,501.663713 | CO2 | 296.302464 | 1.000973 | 10 | vi-co2-da-medium-18 | TDLAS-DA | [0.8939754623695294,0.8937923457242263,0.8942501373374839,0.8941585790148324,0.8943416956601355,0.89(...TRUNCATED) | [0.0007547866435894429,0.0007592022920231852,0.0007636571216019573,0.0007681515891536836,0.000772686(...TRUNCATED) |
0036a490-43b7-41cc-ba02-390b003a3559 | 4,044.88283 | CO2 | 296.000624 | 0.999307 | 10 | vi-co2-da-easy-17 | TDLAS-DA | [0.9129091325246051,0.9129549095902952,0.9132524605172808,0.9131837949187457,0.913344014648661,0.913(...TRUNCATED) | [0.00011565250552096021,0.00011613426545080969,0.00011661915649185125,0.00011710720612745251,0.00011(...TRUNCATED) |
0049b6ec-40bb-4088-aa91-4f760d972ae8 | 8,092.803067 | CO2 | 296.491708 | 1.009259 | 10 | vi-co2-da-hard-19 | TDLAS-DA | [0.8435897435897436,0.8435897435897436,0.8435897435897436,0.8435897435897436,0.8443223443223443,0.84(...TRUNCATED) | [0.0002541537068315472,0.00025522194452686316,0.0002562972096605389,0.0002573795646284793,0.00025846(...TRUNCATED) |
00525de9-e7a2-4eac-97ad-c8c2c6589148 | 3,350.799058 | CO2 | 295.994176 | 1.000142 | 10 | vi-co2-da-easy-17 | TDLAS-DA | [0.89482719157702,0.8949645227740902,0.8950102998397803,0.8951018539711605,0.8952162966353857,0.8953(...TRUNCATED) | [0.0002211283669645944,0.00022234801165435997,0.00022357792888551967,0.00022481823311631748,0.000226(...TRUNCATED) |
005cbb11-87ac-4581-9c26-3063f75c41ff | 24,467.821699 | CO2 | 296.342479 | 0.99738 | 10 | vi-co2-da-medium-18 | TDLAS-DA | [0.8732832814502838,0.8732832814502838,0.8733748397729354,0.8735579564182384,0.8734663980955869,0.87(...TRUNCATED) | [0.001932880090039782,0.0019440513794807908,0.0019553209665145906,0.00196668998856925,0.001978159599(...TRUNCATED) |
006ee9ce-366d-4872-a44d-9a9d1e613543 | 1,154.699752 | CO2 | 296.028615 | 0.999932 | 10 | vi-co2-da-medium-18 | TDLAS-DA | [0.8945248123054386,0.8947994872733931,0.8949826039186962,0.8948910455960447,0.8951657205639992,0.89(...TRUNCATED) | [0.00002727081100453919,0.000027378825118538335,0.000027487505437677365,0.000027596857526208748,0.00(...TRUNCATED) |
006f28f3-7dc4-4db3-830a-55047e6502fc | 2,930.588735 | CO2 | 296.002511 | 0.999989 | 10 | vi-co2-da-easy-17 | TDLAS-DA | [0.8910734721904326,0.8911192492561227,0.891256580453193,0.8913939116502633,0.8914625772487984,0.891(...TRUNCATED) | [0.0001338500162241488,0.00013450246015937124,0.00013515981364277459,0.00013582212606443942,0.000136(...TRUNCATED) |
End of preview. Expand in Data Studio
SPEKTRAN CO2 v0 — AI Agent-Ready Benchmark Data
AI Agent Ready — load this dataset and run the full ML pipeline via natural language. Install
spektran, then tell your AI coding agent: "Train a ridge baseline on CO2 data and show me the scores."
CO2 concentration regression benchmark from SPEKTRAN, the open-source TDLAS/NDIR simulation engine for optical gas sensing.
Why CO2?
CO2 is the most widely studied greenhouse gas in spectroscopy. Every lab doing laser-based gas sensing has CO2 cells and references. This dataset provides a standardized ML benchmark for CO2 concentration retrieval — the same task performed thousands of times daily in environmental monitoring, indoor air quality, and industrial process control.
Configs
| Config | Molecule | Technique | Task | Splits |
|---|---|---|---|---|
da |
CO2 | TDLAS-DA | T1 concentration + T3 cross-instrument | train / val / test / test_heldout |
wms |
CO2 | TDLAS-WMS | T4 WMS concentration | train / val / test |
Quick Start
from datasets import load_dataset
# DA concentration regression (T1/T3)
ds = load_dataset("spektran/spektran-co2-v0", "da")
# WMS concentration (T4)
ds_wms = load_dataset("spektran/spektran-co2-v0", "wms")
AI Agent Workflow
pip install spektran
spektran info --json # Project discovery
spektran list tasks --json # Available benchmark tasks
spektran train --baseline ridge --json # Train baseline (auto-generates data)
Dataset Details
- Molecule: CO2 (carbon dioxide)
- Spectral band: 2ν1+ν3 combination band near 4978 cm⁻¹
- Concentration range: 100–50,000 ppm (log-uniform)
- Instruments: 4 virtual instruments (easy/medium/hard/held-out)
- Physics: HITRAN demo lines, Voigt line profile, Beer-Lambert
- Noise chain: scan nonlinearity, etalon fringes, baseline drift, white + 1/f noise, ADC quantization
Citation
@software{spektran,
title = {SPEKTRAN: Simulation Engine and ML Benchmark for Optical Gas Sensing},
url = {https://github.com/spektran/spektran},
doi = {10.5281/zenodo.21790394},
version = {0.5.1},
license = {Apache-2.0}
}
Links
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