THE NIST X-RAY PHOTOELECTRON-SPECTROSCOPY DATABASE

The National Institute of Standards and Technology (NIST) has made available the second version of the NIST X-ray Photoelectron Spectroscopy Database. This paper reports on recent upgrades to the database to make the information more up-to-date and to make data searching and display more convenient and efficient for the user. Additional data are included in the database together with the capability to search using large chemical synonym lists, chemical formulae and other chemical classification schemes. A list of reference energies is given for the principal photoelectron and Auger electron lines of most of the elements and these values can be used for calculations of chemical shifts. Pull-down menus are now available to initiate searches for the identification of unknown lines more conveniently, to retrieve data on photoelectron lines, Auger electron lines and chemical shifts for a set of elements, to calculate and display chemical shifts, and to calculate and display information for Wagner plots to identify chemical state. In addition, the user can initiate searches based on specified fields of the database.