LABORATORY INFORMATICS GUIDE 2014 | INTEGRATED LABORATORIES Innovation Ecosystem


Scientific data Collection


LC-UV


open data standards l vendor agnostic Document


Preperation


Candidate Selection


LC-MS GC-FID


NMR


Thermal Water et cetera


Certificate of Analysis


Click


Stability Report


Business Analytics


CRO


Regulatory Submission


... et cetera ... Partnerships E-Workbook Suite (IDBS) allows The benefits of open data standards ➤


entire industry. Vendor specific proprietary extensions (e.g. PL/SQL3


) were allowed in


the concept, allowing individual vendors to extend capabilities. Now back to the laboratory. The current


situation is that there is no framework for scientific data standards. Formats are vendor bound, product dependent, and in many cases based upon a closed architecture and are complex in nature. There are plausible reasons why, at this moment, our industry has no general accepted raw-data and metadata standards, but should we not learn from other industries and adopt best practices? The Analytical Information Markup


Language (AnIML) is the emerging ASTM XML standard for analytical chemistry data. The project is a collaborative effort between many groups and individuals and is sanctioned by the ASTM subcommittee E13.15.4


An AnIML is a standardised data


format that allows for storing and sharing of experimental data. It is suitable for a wide


range of analytical measurement techniques. AnIML documents can capture laboratory workflows and results, no matter which instruments or measurement techniques were used. E-Workbook Suite (IDBS) allows spectra


files to be dropped in from the experiment whereby they are automatically converted to AnIML and rendered. The rendering application then allows the scientist to annotate the spectra with searchable chemical structures, text, hyperlinks to other systems and records. The AnIML data is also indexed alongside everything else allowing specific searching of metadata and properties. These processes are non-invasive meaning that the originals raw data files are also kept. An application programming interface


(API) specifies how some software components should interact with each other, allowing customers and third parties to extend the types of spectra that are supported by writing new raw data to


Table 3: Applying standards requires a different mindset Glass half empty


The market is too disperse Technology not available Vendor protection Poor performance


8 | www.scientific-computing.com/lig2014 Glass half full Technologies are emerging rapidly


XML and AnIML are accepted as standards Empowered customers


Consistent unified long time archive process 4 5


spectra files to be dropped in from the experiment whereby they are


automatically converted to AnIML and rendered


sustainable and flexible approaches for manufacturing operations. PAT is expected to grow significantly in the next decade. Over time, in-line, @line and on-line analysis will complement and potentially substitute off-line (batch oriented) laboratory manufacturing processes. International regulatory authorities such as ICH, FDA and ISPE are evaluating these new processes intensively and developing new workflows. These processes will have a high impact on how QA/QC laboratories will operate in next decade. International industry standards such as ANSI/ISA-88 (covering batch process control) and ANSI/ ISA-95 (covering automated interfaces between enterprise and control systems), are commonly used in manufacturing. By


References 1


The 7 Habits of Highly Effective People – Stephen Covey 1990


2Allotrope Foundation – www.allotrope.org 3


PL/SQL (Procedural Language/Structured Query Language) is Oracle Corporation’s procedural language extension for SQL and the Oracle relational database


Subcommittee E13.15 on Analytical Data - www.astm.org/COMMIT/SUBCOMMIT/E1315.htm


Technology Management In The Age Of The Customer - Forrester research 2013


CMO Click


Method/ Data Transfer


Information to Consumers


AnIML converters or plug-in in third party components. Other examples of changes in the way


Your Company


laboratories may operate in the future relate to how balance and titration instrument vendors are increasing the value of their instruments by implementing approved and pre-validated methods in their instruments. This may sound a small step, but it may have a significant impact on validation efforts in the laboratory and manufacturing operations, such as fewer points of failure during operation, less customisation of software and better documentation. The desire to convert manufacturing


processes from traditional batch-oriented processes to a continuous operation has accelerated process analytical techniques (PAT) technologies as a way to create


Allotrope Foundation


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