Automation software

With the SMB system, solvents are recovered, continuously monitored, and analyzed by an automated software system. The chromatographic SMB process ensures that the solvents meet appropriate standards and cross-contamination is eliminated. 

Data standards and interoperable systems. When interoperability is in place, standard, automated software tools for systematically analyzing the data can be constructed. 

Errors and Inconsistencies in Adverse Event Coding. Adverse events are also subject to errors and inconsistencies by coders and data entry personnel. Many of these inconsistencies become very important when adverse events are analyzed by automated software. 

Once a structure of the desired protein has been solved, it is a very rapid process to produce subsequent high-quality structures and, in fact, some groups have even linked various scripts together, or modified software tools to provide much more automated software aids to repeated crystal structure solution, such as when solving multiple ligand complexes of the same protein [7]. 

Various solutions have been proposed for the reduction or elimination of autofluorescence. One way is to chemically suppress the autofluorescence signal with some reagents such as sodium borohydride, glycine or toluidine blue. However, in many cases, these approaches are either infeasible or ineffective, and none of them fully eliminates the problem. The second way is to use spectral unmixing algorithms subtracting the background fluorescence. This is only possible if you have at your disposal complicated, expensive confocal optics with sophisticated automated software (http //www.cri-inc.com/applications/fluorescence-microscopy.asp). 

Automated qualification software is yet another area of CDS development that has been affected by regulatory compliance. When you look at today s CDS solutions, it is typical to see the system providing direct digital control of the instrumentation. Many CDS manufacturers offer software tools that are capable of automating the installation qualification (IQ) and operational qualification (OQ) process. In addition, some manufacturers also offer software that can automate the performance qualification (PQ) for the various forms of instrumentation that it is capable of controlling. These automated software tools are not only time savers for the laboratory, but they also help to properly document the system qualification effort. 

In principle there is no label, if not set by the user, to identify the given DISNMR file as an FID or spectrum, or if the NMR data is from a H or C experiment. However the Bruker automation software, primarily developed to connect older type spectrometers (AC, AM) to a sample changer, allows the user to structure the name in such a way that it carries additional information with respect to the type of experiment. The user is referred to the corresponding automation manual available from Bruker and to the name conventions set by the key NMR operator at your site. 

McGibbon, G. A., Bayliss, M. A., Antler, M., and Lashin, V. (2008). Automated software analysis of isotpe cluster mass differences for components in LC-MS datasets. In Proceedings of the 56th ASMS Conference on Mass Spectrometry and Allied Topics. ASMS, Denver, CO. 

Automated software algorithms such as Waters MetaboLynx Application-Manager detects putative biotransformations for expected and unexpected putative metabolites (Nassar and Adams, 2003 Mortishire-Smith et al., 2005). The Application-Manager automatically runs samples scheduled for analysis by LC-MS and processes the resulting data (Fig. 4.12). Results are reported via a data browser that enables the chromatographic and mass spectrometric evidence that supports each automated metabolic assignment. 

Fandino, A. S., Nagele, E., and Perkins, P. D. (2006). Automated software-guided identification of new buspirone metabolites using capillary LC coupled to ion trap and TOF mass spectrometry. J. Mass Spectrom. 41 248-255. 

Using automation software routines for the ASPECT 3000 pulse generator, we can utilize up to nine ejection/activation pulses, each combining up to four options. Mass (or frequency) information is taken from several variable user-defined lists, such that each option in each event may be used on a large number of masses. The variable mass and delay lists can be defined either via alphanumeric keyboard input, or they can be defined interactively from the spectrum via cursor. Each acceleration/ejection event can contain up to 4095 different steps. All events can be separated by fixed or incrementable delays. 

With recent advances in data collection (in house and at synchrotron sources) and automation software for structure determination, crystal structures can be solved relatively more easily and faster than before. Although crystallization robots and nanodrop technology allow more crystallization conditions to be screened in a timely fashion with small amounts of protein [4], obtaining quality crystals for the target protein and ligand-protein complexes remains a major challenge. 

We tried to combine the advantages of HPLC and SEC by using a fully automated, software controlled, 2D chromatography system for the on-line analysis of composition, end-group functionality, and MMD. It consists of two chromatographs, one that separates by chemical composition (e.g., a gradient HPLC) and a SEC instrument for subsequent separation by size (cf. Figure 2). 

Krapp, C.-A., Westfechtel, B. Feedback handhng in dynamic task nets. In Proceedings of the 12 International Conference on Automated Software Engineering, Incline ViUage, Nevada, USA, pp. 301-302. IEEE Computer Society Press, Los Alamitos (1997)... 

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