diff --git a/docs/examples/v5-icl-repository-DOI-crawl/demo_icl.htm b/docs/examples/v5-icl-repository-DOI-crawl/demo_icl.htm index 3ef7b655..b3b22017 100644 --- a/docs/examples/v5-icl-repository-DOI-crawl/demo_icl.htm +++ b/docs/examples/v5-icl-repository-DOI-crawl/demo_icl.htm @@ -36,14 +36,18 @@
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diff --git a/docs/index.html b/docs/index.html index 41a70c41..a7f60d0c 100644 --- a/docs/index.html +++ b/docs/index.html @@ -1,30 +1,67 @@ - + + + + +IUPAC FAIRSpec GitHub Pages + + +

CDX/CDXML specification

-352 pages retrieved from multiple points on the wayBack machine. +

352 pages retrieved from multiple points on the wayBack machine. + +CDX/CDXML specification -

CDX/CDXML specification -

examples/v5-icl-repository-DOI-crawl

-The IUPAC FAIRSpec Finding Aid in JSON format: -
IFD.findingaid.json +

This demonstration highlights a what can be done +simply by "crawling" the interconnected DataCite +metadata records of a highly curated collection at +the high-performance computing repository at +Imperial College London. This collection contains +data relating to 60 compounds associated with the +article Syntheses and Characterization of Main Group, Transition Metal, Lanthanide, +and Actinide Complexes of Bidentate Acylpyrazolone Ligands, +by Thomas Mies, Andrew J. P. White, Henry S. Rzepa, +Luciano Barluzzi, Mohit Devgan and Richard A. Layfield, +and Anthony G. M. Barrett.

-A sample landing page for the Finding Aid uses only the information in the -Finding Aid to create a rich, searchable context.[in development] -
Finding Aid landing page +The IUPAC FAIRSpec Finding Aid +accesses 323 DOI-referenced pages in the repository +backed by DataCite metadata records pointing to 1843 distinct digital +items, including 390 CDXML drawings, 294 MOL files, +140 complete Bruker NMR datasets, 144 JCAMP-DX files, +and 328 PNG images.

-Additional output from DOICrawler.java collecting the contents of -the high-performance computing repository at -Imperial College London. -
[https://doi.org/10.14469/hpc/10386] -
This program works solely by following DataCite -metadata links. -
-At least in Firefox, the Finding Aid links work in the JSON output. +The sample landing page +for the Finding Aid +uses only the information in the DataCite metadata records retrieved from +DataCite by DOICrawler.java, +which was initiated using only the DOI string for the main repository page, "10.14469/hpc/10386". +Thus, for this proof-of-concept, no files from the repository +were actually downloaded in the creation of the Finding Aid or the +generation of the landing page itself. + +

The landing page uses JSME +to create SMARTS substructure searches and JSmol +to do the SMILES-string searching. Not all compounds in this collection +have fully validated SMILES strings due to the inorganic nature of the +compounds. But this does not prevent SMARTS searching of the metal center, ligands, or +associated solvents. In addition, the page provides access to +nmrdb for optional NMR spectrum prediction. + +

+ +View the IUPAC FAIRSpec Finding Aid +

+Go to the landing page +

+ +Additional output from DOICrawler.java:

ifd-fileURLMap.txt

crawler.log -

- \ No newline at end of file +

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