AnIML

From LabAutopedia

The Analytical Information Markup Language (AnIML) is an upcoming standard that specifies an XML-based, universal file format for documenting laboratory experiments and results.

1 A New Analytical Data Standard
2 Architecture
3 Data Model
4 Development Process
5 Related articles
6 External links

A New Analytical Data Standard

Data standards serve multiple functions; in the past the focus was on a format for information exchanges between data systems; more recently there is a push from the pharmaceutical sector to preserve data for long-periods (30-60 years) to meet FDA requirements, so we need data standards serving as long-term data repositories that can outlive the vendor software; finally, in the future we may hope for vendor-independent processing or viewing of analytical instrument data.

Some of the required properties that have been identified so far include: flexible; strongly-constrained; simple to understand; extensible; long-lived; not only quickly machine readable but also human readable; capable of being verified and validated; capable of handling complex analysis contexts (metadata); capable of being stored in or restored from databases; supports conversion from prior standards (especially ANDI and JCAMP); hardware, operating system, vendor, and software-independence; supports encoding raw or processed data.

One of the aspects that make the task of creating analytical information standards difficult is the constant evolution of analytical techniques. As a result, it is important that technique-constrained software must be able to read their technique sections of the standard without failing when encountering any possible extensions.

Architecture

AnIML provides an XML-based format for analytical data. It is suitable for many different analytical measurement techniques.

It provides a generic data container that permits the storage of arbitrary analytical data. This includes multi-dimensional data, name-value pairs, and hierarchies. The concept of Technique Definitions permits the formal specification of constraints for using this data container. This way, a definition can prescribe how the data for specific measurement techniques should be captured in the data file.

To address changing requirements, AnIML supports an extension concept that allows vendors or end users to specify additional data that should be stored for a measurement technique. These extensions can also be formally documented so that they do not break compatibility with existing software.

Data Model

AnIML was designed to support complex experimental designs and meet data retention requirements imposed by regulatory agencies.

AnIML uses a generic approach to data storage based on a limited number of base data types. The AnIML data model allows storage of n-dimensional data sets along with some basic metadata. A compact representation for evenly monotonic data series is provided. Base data types supported by AnIML include strings, integer, floating point data types. Concepts for hierarchies are provided as well.

Development Process

The Analytical Information Markup Language (AnIML) is being created within the framework of ASTM. This work is the focus of ASTM Subcommittee E13.15 on Analytical Data, a subcommittee of ASTM Committee E13 on Molecular Spectroscopy and Chromatography. The IUPAC Subcommittee on Electronic Data Standards, who are responsible for the JCAMP-DX standards, have joined with ASTM E13.15 to define this new standard for analytical information. The standard is centered around a core schema which will be used across all analytical techniques. A technique schema defines the framework for creating technique definition files for each specific analytical technique. The core and technique schemas are being created and will be maintained by ASTM E13.15. The technique definitions will require input from experts in each technique. For several common techniques (e.g., UV/Vis, IR, MS), these definition files will be created through collaboration of E13.15 with those experts.