ANalytical Data Interchange (ANDI)

<request string="arsinic acid" representation="names">   <data id="1" resolver="name_by_opsin" notation="arsinic acid">     <item id="1" classification="pubchem_iupac_name">arsinic acid</item>     <item id="2" classification="pubchem_substance_synonym">CHEBI:29840</item>     <item id="3" classification="pubchem_substance_synonym">HAsH2O2</item>     <item id="4" classification="pubchem_substance_synonym">[AsH2O(OH)]</item>     <item id="5" classification="pubchem_substance_synonym">arsinic acid</item>     <item id="6" classification="pubchem_substance_synonym">dihydridohydroxidooxidoarsenic</item>   </data> </request>

The metadata, data, comments and any processing errors are stored in an array in PHP and then converted to XML and saved. Figures 4 and ​and55 show a comparison of the original JCAMP file (e.g. “../spectra/view/000000115/JCAMP”) and JCAMP saved in XML (e.g. “../spectra/view/000000115/XML”).