{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2010:Y3JNYDFVH63BHJDBSZUVMXRAWS","short_pith_number":"pith:Y3JNYDFV","schema_version":"1.0","canonical_sha256":"c6d2dc0cb53fb613a4619669565e20b48c6f70d7874b15c55b18c21db8995719","source":{"kind":"arxiv","id":"1008.0567","version":1},"attestation_state":"computed","paper":{"title":"Ab initio analysis of the x-ray absorption spectrum of the myoglobin-carbon monoxide complex: Structure and vibrations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["q-bio.BM"],"primary_cat":"cond-mat.soft","authors_text":"C. Degli Esposti Boschi, F. Boscherini, F. D. Vila, G. Venturoli, G. Veronesi, J. J. Rehr, L. Ferrari","submitted_at":"2010-08-03T15:02:38Z","abstract_excerpt":"We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with multiple-scattering theory. An excellent comparison is obtained for the main part of the molecular structure without any structural fitting parameters. The geometry of the CO ligand is reliably determined using a synergic approach to data analysis. The methodology underlying this approach is expected to be especially useful in similar situations in which high-resolution data "},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1008.0567","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2010-08-03T15:02:38Z","cross_cats_sorted":["q-bio.BM"],"title_canon_sha256":"d64eddc4c11ac6af0285902f423837bfd7286c6fe38e8307a423af17bf39580b","abstract_canon_sha256":"a03ad976c3ca475c9ce4ae1ac32d5473311adc629017395d0f65b452c5eb4f16"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T04:42:42.725731Z","signature_b64":"iYtt5kZ4RZNvWDwxU2ObiiSotBmTWKHfBydIzbsr5ilaToO2dmbvkUs0wWMdZimXQjMi97B3zUt5QPkKXQIXCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"c6d2dc0cb53fb613a4619669565e20b48c6f70d7874b15c55b18c21db8995719","last_reissued_at":"2026-05-18T04:42:42.725310Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T04:42:42.725310Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Ab initio analysis of the x-ray absorption spectrum of the myoglobin-carbon monoxide complex: Structure and vibrations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["q-bio.BM"],"primary_cat":"cond-mat.soft","authors_text":"C. Degli Esposti Boschi, F. Boscherini, F. D. Vila, G. Venturoli, G. Veronesi, J. J. Rehr, L. Ferrari","submitted_at":"2010-08-03T15:02:38Z","abstract_excerpt":"We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with multiple-scattering theory. An excellent comparison is obtained for the main part of the molecular structure without any structural fitting parameters. The geometry of the CO ligand is reliably determined using a synergic approach to data analysis. The methodology underlying this approach is expected to be especially useful in similar situations in which high-resolution data "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1008.0567","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"aliases":[{"alias_kind":"arxiv","alias_value":"1008.0567","created_at":"2026-05-18T04:42:42.725379+00:00"},{"alias_kind":"arxiv_version","alias_value":"1008.0567v1","created_at":"2026-05-18T04:42:42.725379+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1008.0567","created_at":"2026-05-18T04:42:42.725379+00:00"},{"alias_kind":"pith_short_12","alias_value":"Y3JNYDFVH63B","created_at":"2026-05-18T12:26:17.028572+00:00"},{"alias_kind":"pith_short_16","alias_value":"Y3JNYDFVH63BHJDB","created_at":"2026-05-18T12:26:17.028572+00:00"},{"alias_kind":"pith_short_8","alias_value":"Y3JNYDFV","created_at":"2026-05-18T12:26:17.028572+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS","json":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS.json","graph_json":"https://pith.science/api/pith-number/Y3JNYDFVH63BHJDBSZUVMXRAWS/graph.json","events_json":"https://pith.science/api/pith-number/Y3JNYDFVH63BHJDBSZUVMXRAWS/events.json","paper":"https://pith.science/paper/Y3JNYDFV"},"agent_actions":{"view_html":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS","download_json":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS.json","view_paper":"https://pith.science/paper/Y3JNYDFV","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1008.0567&json=true","fetch_graph":"https://pith.science/api/pith-number/Y3JNYDFVH63BHJDBSZUVMXRAWS/graph.json","fetch_events":"https://pith.science/api/pith-number/Y3JNYDFVH63BHJDBSZUVMXRAWS/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS/action/timestamp_anchor","attest_storage":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS/action/storage_attestation","attest_author":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS/action/author_attestation","sign_citation":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS/action/citation_signature","submit_replication":"https://pith.science/pith/Y3JNYDFVH63BHJDBSZUVMXRAWS/action/replication_record"}},"created_at":"2026-05-18T04:42:42.725379+00:00","updated_at":"2026-05-18T04:42:42.725379+00:00"}