HQD file

A HyperQuad Data file, extension HQD, is a text file that conforms to XML rules. It consists of three sections.

1. The model. This contains values of the stability constants and the stoichiometry of the complexes which are present in solution. The model section is common to Hyperquad, HypSpec or HypNMR and HySS.
2. Experimental data. This section contains the data for Hyperquad, HypSpec or HypNMR. The sections are labeled so that they will be recognized by the calling program.
3. HySS data. Contains both the data required for simulation and for speciation.

An HQD file may be created in any program. For example, if the file is created in HySS during preliminary simulation, Hyperquad data may be added later. Another example is to add HySS data after the stability constants have been refined in order to produce speciation diagrams for publication.