GSC-X Sky Observatory V1 — Complete JWST/MIRI 50 GiB Real-Data Analysis Dataset

This dataset contains the complete derived scientific analysis products generated during the validation of GSC-X Sky Observatory V1 — an autonomous, end-to-end scientific processing, analysis, and discovery architecture designed to transform large-scale astronomical observations into reproducible physical evidence. Rather than evaluating the system on a small curated sample, this validation campaign challenged GSC-X Sky Observatory with approximately 50 GiB of real James Webb Space Telescope (JWST) observational data, comprising 1,341 Mid-Infrared Instrument (MIRI) X1D spectra spanning a highly heterogeneous collection of astronomical targets and instrumental configurations. Across the complete corpus, GSC-X Sky Observatory autonomously executed scientific quality gating, spectral-structure extraction, fingerprint construction, anomaly and target ranking, cross-observation reproducibility analysis, peer-target comparison, residual candidate isolation, and subsequent physical-identification workflows. The entire 1,341-spectrum corpus was processed with zero technical failures. Validation at Scale The final autonomous pipeline produced: 1,341 real JWST/MIRI spectra processed 1,341 technical successes 0 technical failures 1,187 scientifically accepted spectra 154 scientifically rejected spectra through autonomous quality gating 18,264 detected spectral structures 1,341 complete spectral fingerprints 1,341 per-spectrum spectral-feature datasets 1,341 executive scientific analysis results The resulting archive therefore represents not merely a collection of extracted spectra, but a complete derived record of an autonomous astronomical analysis campaign — from raw observational input assessment through reproducibility testing and physical interpretation. The dataset contains the complete derived analysis catalog, validation freezes, spectral fingerprints, per-spectrum feature tables, executive analysis outputs, cross-target comparisons, reproducibility analyses, candidate rankings, physical-identification matrices, systematics audits, and final validation records. Case 1 — Neptune: Autonomous Molecular Identification During autonomous analysis of the corpus, GSC-X Sky Observatory isolated a highly significant spectral structure near 14.411823 µm in Neptune. The candidate was subsequently subjected to increasingly strict validation stages including cross-file reproducibility analysis, peer-target comparison, raw-spectrum local-shape inspection, instrumental/systematics assessment, and molecular line-list analysis. Automated physical validation against HITRAN spectroscopy supported compatibility with the C₂H₂ (acetylene) molecular multiplet. The molecular structure was independently reproduced across 5/5 Neptune spectra, with a median multiplet correlation of approximately 0.925. This case demonstrates that GSC-X Sky Observatory can progress autonomously from: spectral structure → anomaly isolation → reproducibility → physical hypothesis → spectroscopic validation. The result is classified as a validated autonomous molecular-identification case. Importantly, this is a validation of the autonomous scientific discovery-to-identification workflow and does not constitute a claim of discovery of a new molecule or previously unknown spectral line on Neptune. Case 2 — NGC 7027: Autonomous Target Selection and Physical Identification In a second experiment, the system was not instructed which astronomical object should receive detailed investigation. Instead, GSC-X Sky Observatory autonomously ranked the available targets according to reproducibility, spectral richness, significance, and discovery-analysis potential. From the complete observational corpus, NGC 7027 emerged as the highest-ranked autonomous discovery target. The system subsequently constructed a highly reproducible spectral fingerprint and autonomously recovered and physically validated several prominent ionic emission structures, including: [O IV] — 25.888 µm[Ne V] — 24.315 µm[Mg V] — ~13.52 µm[S III] — 18.713 µm These independently recovered known physical structures provide an important internal scientific control: the autonomous pipeline was able to identify physically meaningful astrophysical signatures without being explicitly directed toward those individual lines during the discovery-ranking stage. Beyond Known Lines — Residual Discovery Search After validating the known ionic structures, GSC-X Sky Observatory continued the analysis rather than terminating at successful identification. Known structures were removed from the discovery space and the remaining spectral residuals were autonomously re-ranked. Successive physical-identification and systematics audits reduced the residual candidate set until a persistent absorption structure in approximately the 5.96–5.97 µm region remained as the primary unresolved physical candidate. The structure was examined across 19 NGC 7027 observations and compared against a much broader control population covering the same wavelength region. The analysis found a median NGC 7027 absorption depth of approximately 5.9%, while the peer population showed a substantially lower median depth, producing a peer-depth ratio of approximately 2.28. Instrumental quality checks showed no non-zero DQ contamination in the evaluated NGC 7027 measurements, while peer and systematic analyses supported the presence of an NGC 7027-specific spectral structure. This is precisely where the architecture's scientific conservatism becomes important. Despite the reproducibility and target-specific enrichment, the available evidence does not yet justify assigning the structure to a new molecule, ion, transition, or previously unknown astrophysical phenomenon. The feature is therefore deliberately frozen as an: UNRESOLVED PHYSICAL CANDIDATE with no novelty claim. This distinction is fundamental to the GSC-X Sky Observatory methodology: autonomous discovery must be capable not only of finding unusual structures, but also of distinguishing between validated identification, likely identification, instrumental/systematic effects, and genuinely unresolved evidence. Scientific Significance of the Dataset The primary purpose of this release is therefore broader than documenting individual spectral detections. It provides a reproducible benchmark of an autonomous scientific architecture operating across a large heterogeneous collection of real astronomical observations and demonstrates a complete workflow: 1,341 real spectra→ autonomous quality control→ 18,264 extracted structures→ spectral fingerprints→ reproducibility analysis→ cross-target comparison→ autonomous target ranking→ physical identification→ residual discovery search→ systematics rejection→ validated and unresolved scientific outcomes. The archive preserves both positive results and rejected or unresolved interpretations. This is intentional: a scientifically useful autonomous system must demonstrate not only its ability to detect signals, but also its ability to reject inadequate evidence and stop before an unsupported discovery claim is made. Dataset Scope and Reproducibility This release constitutes the frozen scientific record of the GSC-X Sky Observatory 50 GiB Real-Data Validation Campaign V1. The validation freeze records: 1,341 / 1,341 technical successes0 technical failures1,187 scientifically accepted spectra18,264 extracted spectral structures1,341 spectral fingerprints The release is cryptographically reproducible through the accompanying manifests and SHA-256 checksums. The archive contains derived scientific products only (JSON/JSONL/CSV and associated validation metadata). Original JWST FITS observations are not redistributed in this archive. The proprietary GSC-X source code and processing implementation are likewise not included. Intended Use The dataset is released to support: scientific reproducibility, independent verification, autonomous-science benchmarking, astronomical spectroscopy research, anomaly-detection research, machine-assisted scientific discovery, validation of scientific AI architectures, and further astrophysical investigation of the unresolved derived structures. It accompanies the GSC-X Sky Observatory research architecture developed by GDS Research Institute.