SPARQL

A prototype endpoint is running at https://ciaaw-draft.jerven-bolleman.workers.dev/sparql. It may change or disappear without notice. It only answers SPARQL requests, so opening the address in a browser shows an error.

Try it

From the command line:

curl --data-urlencode "query=ASK { ?s ?p ?o }" https://ciaaw-draft.jerven-bolleman.workers.dev/sparql

curl -H "Accept: text/turtle" --data-urlencode "query=CONSTRUCT { ?s a ?o } WHERE { ?s a ?o }" https://ciaaw-draft.jerven-bolleman.workers.dev/sparql

CONSTRUCT and DESCRIBE need an RDF format in the Accept header, as in the second example. Without one, the endpoint answers with error 400.

What the endpoint holds

It serves the current data and the example queries read-only, using Oxigraph inside a Cloudflare Worker (oxigraph-cloudflare-webworker). The revision example is not loaded, so its invented value cannot appear in results.

Every element, isotope and declaration has its own page, and the IRIs in the results lead there. Each page links to the Turtle file of that resource.

Decimals and trailing zeros

Oxigraph stores decimals as numbers, so 162.500 comes back as 162.5 and 0.0000 as 0. The value is the same, but the printed digits are not. Use ciaaw:significantFigures to restore them, or the Turtle file, which keeps the original digits. Zero bounds have no significant figures recorded, so their printed form is only available in the Turtle file.

Example queries

The results below were computed with Oxigraph when this site was built. Each query is also published as a plain .rq file, which you can paste into the editor, and as sparql-examples Turtle. The shared prefixes are in their own file.

Elements

Every element with its atomic number and symbol.

# Elements
# Every element with its atomic number and symbol.
#+ summary: Elements
#+ tags:
#+ - elements
#+ - atomic number
PREFIX chemrof: <https://w3id.org/chemrof/>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>

SELECT ?z ?symbol ?name WHERE {
  ?element a chemrof:ChemicalElement ;
    rdfs:label ?name ;
    chemrof:symbol ?symbol ;
    chemrof:atomic_number ?z .
}
ORDER BY ?z

Files: 01-elements.rq, Turtle

Standard atomic weights

The current declaration of each element, which is either an interval or a value with an uncertainty. Elements without a standard atomic weight are left out.

# Standard atomic weights
# The current declaration of each element, which is either an interval or a value with an uncertainty. Elements without a standard atomic weight are left out.
#+ summary: Standard atomic weights
#+ tags:
#+ - standard atomic weight
#+ - interval
PREFIX chemrof: <https://w3id.org/chemrof/>
PREFIX ciaaw: <https://hendrikborgelt.github.io/Draft_for_IUPAC_CIAAW-Isotopic-Abundances-and-Atomic-Weights/ciaaw-draft#>
PREFIX qudt: <http://qudt.org/schema/qudt/>

SELECT ?symbol ?lower ?upper ?value ?uncertainty WHERE {
  ?element chemrof:symbol ?symbol ;
    chemrof:atomic_number ?z ;
    ciaaw:currentStandardAtomicWeight/ciaaw:value ?quantity .
  OPTIONAL { ?quantity qudt:lowerBound ?lower ; qudt:upperBound ?upper }
  OPTIONAL { ?quantity qudt:numericValue ?value ; qudt:standardUncertainty ?uncertainty }
}
ORDER BY ?z

Files: 02-standard-atomic-weights.rq, Turtle

Isotopic composition of calcium

The current abundance of each isotope, with the number of significant figures printed in the table.

# Isotopic composition of calcium
# The current abundance of each isotope, with the number of significant figures printed in the table.
#+ summary: Isotopic composition of calcium
#+ tags:
#+ - isotopes
#+ - abundance
PREFIX ciaaw: <https://hendrikborgelt.github.io/Draft_for_IUPAC_CIAAW-Isotopic-Abundances-and-Atomic-Weights/ciaaw-draft#>
PREFIX qudt: <http://qudt.org/schema/qudt/>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>

SELECT ?massNumber ?abundance ?uncertainty ?significantFigures WHERE {
  ?element rdfs:label "calcium"@en ;
    ciaaw:hasIsotope ?isotope .
  ?isotope ciaaw:massNumber ?massNumber ;
    ciaaw:currentAbundance/ciaaw:value ?quantity .
  ?quantity qudt:numericValue ?abundance ;
    qudt:standardUncertainty ?uncertainty ;
    ciaaw:significantFigures ?significantFigures .
}
ORDER BY ?massNumber

Files: 03-isotopic-composition.rq, Turtle

Elements with footnote g

Elements whose current standard atomic weight carries note g, for materials outside the limits for normal material.

# Elements with footnote g
# Elements whose current standard atomic weight carries note g, for materials outside the limits for normal material.
#+ summary: Elements with footnote g
#+ tags:
#+ - footnotes
#+ - elements
PREFIX chemrof: <https://w3id.org/chemrof/>
PREFIX ciaaw: <https://hendrikborgelt.github.io/Draft_for_IUPAC_CIAAW-Isotopic-Abundances-and-Atomic-Weights/ciaaw-draft#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX skos: <http://www.w3.org/2004/02/skos/core#>

SELECT ?symbol ?name WHERE {
  ?element chemrof:symbol ?symbol ;
    chemrof:atomic_number ?z ;
    rdfs:label ?name ;
    ciaaw:currentStandardAtomicWeight/ciaaw:footnote/skos:notation "g" .
}
ORDER BY ?z

Files: 04-footnotes.rq, Turtle

Declarations and their sources

Every declaration that cites a report, with the year when it is known.

# Declarations and their sources
# Every declaration that cites a report, with the year when it is known.
#+ summary: Declarations and their sources
#+ tags:
#+ - provenance
#+ - declarations
PREFIX dcterms: <http://purl.org/dc/terms/>

SELECT ?declaration ?year ?source WHERE {
  ?declaration dcterms:source ?source .
  OPTIONAL { ?declaration dcterms:issued ?year }
}
ORDER BY ?declaration

Files: 05-provenance.rq, Turtle

Matches to ChEBI

Elements and isotopes that are linked to a ChEBI entry.

# Matches to ChEBI
# Elements and isotopes that are linked to a ChEBI entry.
#+ summary: Matches to ChEBI
#+ tags:
#+ - ChEBI
#+ - matches
PREFIX skos: <http://www.w3.org/2004/02/skos/core#>

SELECT ?subject ?chebi WHERE {
  ?subject skos:closeMatch ?chebi .
}
ORDER BY ?subject

Files: 06-chebi-matches.rq, Turtle

Total abundance per element

Adds up the isotopes of each element. Elements given as intervals are left out, because intervals have no meaningful sum.

# Total abundance per element
# Adds up the isotopes of each element. Elements given as intervals are left out, because intervals have no meaningful sum.
#+ summary: Total abundance per element
#+ tags:
#+ - abundance
#+ - totals
PREFIX chemrof: <https://w3id.org/chemrof/>
PREFIX ciaaw: <https://hendrikborgelt.github.io/Draft_for_IUPAC_CIAAW-Isotopic-Abundances-and-Atomic-Weights/ciaaw-draft#>
PREFIX qudt: <http://qudt.org/schema/qudt/>

SELECT ?symbol (SUM(?amount) AS ?total) WHERE {
  ?element chemrof:symbol ?symbol ;
    ciaaw:hasIsotope/ciaaw:currentAbundance/ciaaw:value/qudt:numericValue ?amount .
  MINUS {
    ?element ciaaw:hasIsotope/ciaaw:currentAbundance/ciaaw:value/qudt:lowerBound ?bound .
  }
}
GROUP BY ?symbol
ORDER BY ?symbol

Files: 07-abundance-totals.rq, Turtle

Historical standard atomic weights

Every standard atomic weight the Commission recommended for an element, oldest first, with its year. The current one has no deprecated flag.

# Historical standard atomic weights
# Every standard atomic weight the Commission recommended for an element, oldest first, with its year. The current one has no deprecated flag.
#+ summary: Historical standard atomic weights
#+ tags:
#+ - standard atomic weight
#+ - history
PREFIX chemrof: <https://w3id.org/chemrof/>
PREFIX ciaaw: <https://hendrikborgelt.github.io/Draft_for_IUPAC_CIAAW-Isotopic-Abundances-and-Atomic-Weights/ciaaw-draft#>
PREFIX dcterms: <http://purl.org/dc/terms/>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX qudt: <http://qudt.org/schema/qudt/>

SELECT ?symbol ?year ?value ?lower ?upper ?deprecated WHERE {
  ?element chemrof:symbol ?symbol ;
    ciaaw:hasDeclaration ?declaration .
  ?declaration a ciaaw:StandardAtomicWeightDeclaration ;
    dcterms:issued ?year ;
    ciaaw:value ?quantity .
  OPTIONAL { ?quantity qudt:numericValue ?value }
  OPTIONAL { ?quantity qudt:lowerBound ?lower ; qudt:upperBound ?upper }
  OPTIONAL { ?declaration owl:deprecated ?deprecated }
}
ORDER BY ?symbol ?year

Files: 08-historical-standard-atomic-weights.rq, Turtle