a web service is a software component for application-to-application communication, typically based on SOAP and XML for message format and communicating protocol, respectively.
Warning: As this site must be considered as beta, all services offered here are subject to change at any time.
All functionality presented on the ms analysis page is implemented using the web services given below. Although a direct communication to the database would save roundtrips to the webserver, hence increase performance by reducing server load and communication time, this pattern is used to demonstrate both flexibility and openess of this application. In general, the library search and the sub-group prediction could be included in any MS annotation software capable of using web services.
You can download a very simple client featuring a Microsoft Excel® spreadsheet. Given a Spectrum, an Retention Index (RI) value and an Mining Model identifier (here, Mining Model is an equivalent term to Decision Tree) the user defined function PredictSingle(ri, spectrum, MiningModelId, [optional property]) establishes a connection to GMD web site and invokes the prediction web service for potentially hundereds/thousends of mass spectra and Decisoin Trees, depending on your patience. The opional parameter property can be used to extract specific details from the predcition, i.e. PredictionGroupIsPresent, Probability, AdjustedProbability, Support, or NodeId. However, you have to have to enable macros to use the functionality. Feedback and bug reports are highly appreciated!
