Abstract
We propose a standard data format for the interchange of XAFS data. The XAFS Data Interchange (XDI) standard is meant to encapsulate a single spectrum of XAFS along with relevant metadata. XDI is a text-based format with a simple syntax which clearly delineates metadata from the data table in a way that is easily interpreted both by a computer and by a human. The metadata header is inspired by the format of an electronic mail header, representing metadata names and values as an associative array. The data table is represented as columns of numbers. This format can be imported as is into most existing XAFS data analysis, spreadsheet, or data visualization programs. Along with a specification and a dictionary of metadata types, we provide an application-programming interface written in C and bindings for programming dynamic languages.
Highlights
A poorly structured and poorly documented file format hinders the use of the data contained in the file by limits its portability between computers, between data analysis and data visualization programs, and over time
The XAFS Data Interchange (XDI) standard is meant to encapsulate a single spectrum of XAFS along with relevant metadata
We propose a solution to the problem of representing a single spectrum of XAFS data called “XAFS Data Interchange” or XDI
Summary
A poorly structured and poorly documented file format hinders the use of the data contained in the file by limits its portability between computers, between data analysis and data visualization programs, and over time. Every XAFS beamline in the world provides some kind of single-scan file format to its visitors. All such files capture the data table associated with the measurement in some manner. XDI is designed to capture a μ(E) spectrum as an ASCII column data file While it may, in certain situations, be a suitable format for raw data from a beamline, it cannot possibly capture the full complexity of a modern synchrotron measurement. To fully capture the data from an energydiscriminating detector requires at least three numbers per channel at each energy point This would make an unmanageably wide data table when represented as a column text file. A processed μ(E) spectrum is the basic unit of currency for an XAFS analysis problem and an XDI file is the encoding of this basic unit of currency
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