https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4
.trig | .trig.txt | .jelly | .jelly.txt | .jsonld | .jsonld.txt | .nq | .nq.txt | .xml | .xml.txt
@prefix this: <https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4> .
@prefix sub: <https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4/> .
@prefix np: <http://www.nanopub.org/nschema#> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix npx: <http://purl.org/nanopub/x/> .
@prefix dc: <http://purl.org/dc/terms/> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .
sub:Head {
this: a np:Nanopublication;
np:hasAssertion sub:assertion;
np:hasProvenance sub:provenance;
np:hasPublicationInfo sub:pubinfo .
}
sub:assertion {
<https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test> a <https://w3id.org/delphi/ontology/Assessment>;
dc:description "Symmetry expansion of the first COD diamond CIF (by id) in Fd-3m that yields 8 full-occupancy carbons per cell; neighbours within 1.1 times the shortest C-C distance counted and bond angles computed in a 3x3x3 block.";
<http://www.w3.org/2000/01/rdf-schema#comment> "Measured: 0 largest deviation of a C-C-C bond angle from 109.47 degrees in the refined diamond structure (degrees) (n = 48). Interpretation: The geometry follows exactly from the space group and the Wyckoff position 8a, so a refined structure in Fd-3m with carbon on 8a passes by construction; the empirical content is that diamond refines in that space group with that site, which is what the CIF records. A single structure is enough for the geometry; the number of independent CIFs found is reported.";
<http://www.w3.org/2000/01/rdf-schema#label> "Claim test of bragg1915-03: supports, confidence 0.95";
<http://www.w3.org/2000/01/rdf-schema#seeAlso> <https://github.com/fractastical/delphisci/blob/bf2af6ee0a84e23ffa6414ad7a0a50a8c276506e/test-data/claim-tests/crystals-and-form/bragg1915-03/result.json>;
prov:wasAttributedTo <https://w3id.org/delphi/resource/agent/delphisci-claim-tester-claude-fable-5-1>;
<https://w3id.org/delphi/ontology/admissibleDatasets> "Planned datasets: cod-search-api";
<https://w3id.org/delphi/ontology/assessmentType> "claim-test/0.1.0";
<https://w3id.org/delphi/ontology/dataKind> "physical";
<https://w3id.org/delphi/ontology/disconfirmingObservation> "Coordination number other than 4, or any angle off by more than 1 degree: refutes. Angles between 0.1 and 1 degree off: mixed. No ambient Fd-3m diamond CIF with coordinates in the COD: inconclusive.";
<https://w3id.org/delphi/ontology/evidenceAgainst> "Deviation: COD writes the space group with an origin-choice suffix ('F d -3 m :1' or ':2'); the suffix is stripped before matching the pre-registered symbol.",
"Deviation: Entries whose CIF does not expand to 8 full-occupancy carbon positions (the pre-registered Z = 8) are skipped and listed in results.skipped_entries; the first remaining entry by COD id is used.",
"Passes by construction for any structure refined in Fd-3m with carbon on 8a; the empirical content is that diamond refines there.",
"Two CIFs were skipped (one with partial occupancy at a displaced site, one with no parseable coordinates) and are listed in results.skipped_entries.";
<https://w3id.org/delphi/ontology/expectedObservation> "From the atomic coordinates of a COD diamond CIF (formula C, space group F d -3 m, Z = 8, ambient), expanding symmetry to a 3x3x3 block: every carbon has exactly 4 neighbours within 1.1 times the shortest C-C distance, that distance equals a sqrt(3)/4 within 0.1 per cent, and every bond angle is within 0.1 degree of 109.47: supports.";
<https://w3id.org/delphi/ontology/failCriterion> "Coordination number other than 4, or any angle off by more than 1 degree: refutes. Angles between 0.1 and 1 degree off: mixed. No ambient Fd-3m diamond CIF with coordinates in the COD: inconclusive.";
<https://w3id.org/delphi/ontology/hasConfidence> "0.95"^^xsd:double;
<https://w3id.org/delphi/ontology/hasEvidence> <https://w3id.org/delphi/resource/evidence/bragg1915-03--claim-test--dataset-1>;
<https://w3id.org/delphi/ontology/hasVerdict> "supports";
<https://w3id.org/delphi/ontology/hypothesis> "If diamond's carbon atoms lie on two interpenetrating face-centred cubic lattices with tetrahedral coordination, a refined diamond structure gives every carbon exactly four nearest neighbours at a sqrt(3)/4 with all six bond angles 109.47 degrees.";
<https://w3id.org/delphi/ontology/inferenceMethod> "Symmetry expansion of the first COD diamond CIF (by id) in Fd-3m that yields 8 full-occupancy carbons per cell; neighbours within 1.1 times the shortest C-C distance counted and bond angles computed in a 3x3x3 block.";
<https://w3id.org/delphi/ontology/passCriterion> "From the atomic coordinates of a COD diamond CIF (formula C, space group F d -3 m, Z = 8, ambient), expanding symmetry to a 3x3x3 block: every carbon has exactly 4 neighbours within 1.1 times the shortest C-C distance, that distance equals a sqrt(3)/4 within 0.1 per cent, and every bond angle is within 0.1 degree of 109.47: supports.";
<https://w3id.org/delphi/ontology/preregistered> "true"^^xsd:boolean .
<https://w3id.org/delphi/resource/claim/bragg1915-03> <https://w3id.org/delphi/ontology/hasAssessment>
<https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test> .
<https://w3id.org/delphi/resource/evidence/bragg1915-03--claim-test--dataset-1> a
<https://w3id.org/delphi/ontology/EvidenceItem>;
dc:description "";
dc:license "CC0 (COD data are public domain)";
<http://www.w3.org/2000/01/rdf-schema#label> "Dataset: Crystallography Open Database (COD) search API and CIF files";
prov:atLocation <https://www.crystallography.net/cod/2300702.cif>, <https://www.crystallography.net/cod/result?formula=C&format=json>;
prov:wasDerivedFrom <https://www.crystallography.net/cod/>;
<https://w3id.org/delphi/ontology/hasChecksum> "sha256:8a3cd9baa420d634b1aa242c843e45510abdacedd16d607d1f956db997b2ef99",
"sha256:8ac7ddff65131f7f940a5d94f598f93012a152495b3f154b4c9ed536412af8ea" .
}
sub:provenance {
<https://w3id.org/delphi/resource/agent/delphisci-claim-tester-claude-fable-5-1> a
prov:SoftwareAgent;
<http://www.w3.org/2000/01/rdf-schema#label> "delphisci claim tester (claude-fable-5.1; crystals-and-form-tests-1)";
prov:actedOnBehalfOf <https://orcid.org/0009-0007-4948-9192>;
<https://w3id.org/delphi/ontology/usesModel> <https://w3id.org/delphi/resource/model/claude-fable-5-1> .
<https://w3id.org/delphi/resource/model/claude-fable-5-1> a <https://w3id.org/delphi/ontology/LanguageModel>;
dc:identifier "claude-fable-5.1" .
sub:assertion prov:wasAttributedTo <https://w3id.org/delphi/resource/agent/delphisci-claim-tester-claude-fable-5-1>;
prov:wasDerivedFrom <https://github.com/fractastical/delphisci/blob/bf2af6ee0a84e23ffa6414ad7a0a50a8c276506e/test-data/claim-tests/crystals-and-form/bragg1915-03/result.json>;
prov:wasGeneratedBy sub:test .
sub:plan prov:hadPlan <https://github.com/fractastical/delphisci/blob/bf2af6ee0a84e23ffa6414ad7a0a50a8c276506e/test-data/claim-tests/README.md> .
sub:test a prov:Activity;
prov:qualifiedAssociation sub:plan;
prov:wasAssociatedWith <https://w3id.org/delphi/resource/agent/delphisci-claim-tester-claude-fable-5-1> .
}
sub:pubinfo {
this: dc:created "2026-11-08T16:24:31.804Z"^^xsd:dateTime;
dc:creator <https://orcid.org/0009-0007-4948-9192>;
dc:license <https://creativecommons.org/licenses/by/4.0/>;
npx:hasNanopubType <https://w3id.org/delphi/ontology/Assessment>;
npx:introduces <https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test>;
<http://www.w3.org/2000/01/rdf-schema#label> "Claim test of bragg1915-03: supports, confidence 0.95";
<https://w3id.org/delphi/ontology/domain> <https://w3id.org/delphi/resource/domain/crystals-and-form> .
sub:sig npx:hasAlgorithm "RSA";
npx:hasPublicKey "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAyFHtPB6p0mCjDozxlOY9CmO3nBm7Te3jFbXyLmM+G1tGe47Da0jYIbhkl9Oo1ZjxmCa3LCwlEqK8gj6hEIcL4ahW30JXh9HycfKVk1bugkzMEV15tJdTzAU3sGMFnbNsn43xY2LFLy45tApkRm5byEiM7oRRrooIdwoQKnP4Wzq/bfAoJ9qvW+MGkelyOTd1jbSt+KfmT7xKmDfWzAHddUlWwMX2QJOLxDaffOteTop6ZRgPiNmPJKA/S62Gac9XtSYT3oDkZ6/nr5cxxNLpOyxTf5FPISiCe11xYO/unYjY+mwnOfA8yhJIyx1l0O9I0vpOpn+E5TvyHJV+oSTrvwIDAQAB";
npx:hasSignature "dyYQqN9lkUe/YLaVfbimM6yOlUtaafjTjKh9Bws5lnHX1VSNapt8Ez6ZO4JqbqtLyntvap8t4ziZl0Iei7yYaESYjNcOLljW7TrFGrDH3h8PTwi/KZYi0N7BOuxHXMri+N+sNcSTz+gB+Yi3Z8x7TcVDrRZK+8QKdmkaDl/5MWE7jFqvFyd/893sfp7OY8d1m7+z0TjEXDRYHNje6iNuvrJFj4Uwl+JXpzLy6t4VNrPAH2HVcRK41ZUwjFabySoDZ++z/P8L3fsQmJSPmtb2yCw0h+dUrvjnCVNRRb0u60GUx7FDOHPkP718yEEoIcXrrB2MHfZjFEPFb6K62U33iQ==";
npx:hasSignatureTarget this:;
npx:signedBy <https://orcid.org/0009-0007-4948-9192> .
}