Data reduction software

The system (Fig. 12.1), described in this section, incorporates the latest of these enhancements, including solid phase proteolysis, automated liquid handling and streamlined data reduction software [8]. 

Characterized material for calibrators and controls Critical reagents with proper documentation Microplate reader and washer Data reduction software... 

Tab. 11.4 Poremaster data reduction software (according to Quantachrome, Boynton Beach, FL, USA).

It is worth noting that the first systematic EPR analysis on Msba was published in 2005 [44] and the data were compared to the X-ray structures of MsbA in the open and closed states published from 2001 to 2005, which were retracted in 2007 due to data misinterpretation caused by an error in in-house data reduction software. The comparison of the EPR data with the corrected crystal structures reviewed here [26] resolved the earlier incongruencies brought about by wrong helix assignment. 

Computer data reduction software minimizes the need for multiple standards and assures clientele of accurate and cost effective quantitative elemental analysis. 

Figure 2.12 Typical chromatograms produced automatically by the data capture and data reduction software on a modern gel permeation chromatographic instrument (a) a calibration standard and (b) a typical sample with a dispersity index of 1.86 together with a full experimental report. Both the differential and integral distribution curves are plotted. Note that the molecular...

Griffin, W.L., Powell, W.J., Pearson, N.J., and O Reilly, S.Y. (2008) Glitter data reduction software for LA-ICP-MS, in Laser Ablation ICP-MS in the Earth Sciences Current Practices and Outstanding Issues, Short Course Series, vol. 40 (ed. P. Sylvester), Mineralogical Association of Canada, Quebec,... 

We thank Jason Spyromilio for his development of the IRIS data-reduction software package. 

The computer has become an accepted part of our daily lives. Computer applications in applied polymer science now are focussing on modelling, simulation, robotics, and expert systems rather than on the traditional subject of laboratory instrument automation and data reduction. The availability of inexpensive computing power and of package software for many applications has allowed the scientist to develop sophisticated applications in many areas without the need for extensive program development. 

Multivariate Data Reduction and Discrimination with SAS Software by Ravindra Khattree and Dayanand N. Naik... 

We have kept the data collection computer and its software simple and economical. The computing power and peripherals needed to provide high quality plotting and data reduction are available on a 32-bit minicomputer that supports a number of our projects. The floppy discs from the data collection process can be read directly into the data reduction computer. Special menus have been set up to facilitate plotting of the data on a high speed color raster display or on a high-quality multicolor pen plotter. 

Data reduction and interpretation are much aided by computer methods and the high speed of current microcomputers facilitates the real-time processing and display of data. The principle of extracting as much information as possible from analytical measurements through the application of statistical and other mathematical methods, usually with the aid of appropriate computer software, is known as chemometrics (p. 13). 

Several existing physico-chemical sensors, with data reduction algorithms and filtering methods [61] (see software sensing in last part)... 

TTie classification of kinetic methods proposed by Pardue [18] is adopted in the software philosophy. TTie defined objective of measurement in the system is to obtain the best regression fit to a minimum of 10 data points, taken over either a fixed time (i.e. the maximum time for slow reactions) or variable time (for reactions complete in less than 34 min, which is the maximum practical observation time). In an analytical system generating information at the rate of SO datum points per second, with reactions being monitored for up to 2040 s, effective data-reduction is of prime importance. To reduce this large quantity of analytical data to more manageable proportions, an algorithm was devised to optimize the time-base of the measurements for each individual specimen. 

The XPS spectra were recorded on a Surface Science Laboratories small spot system using a monochromatized A1K X-ray radiation source. The take-off angle used for these measurements was 35°. Full details of the methods used in interpreting the XPS data have been described elsewhere [14], Data reduction was done using Surface Science Laboratories software version 8.0. This software utilizes a least squares curve fitting approach with only chi square statistics for goodness of the calculated fit to the experimental data. 

In TA the mass loss versus increasing temperature of the sample is recorded. The basic instrumental requirements are simple a precision balance, a programmable furnace, and a recorder (Figure 1). Modem instruments, however, tend to be automated and include software for data reduction. In addition, provisions are made for surrounding the sample with an air, nitrogen, or an oxygen atmosphere. 

In a modern laboratory, automated computer software for data acquisition and processing performs most of data reduction. Raw data for organic compound and trace element analyses comprise standardized calibration and quantitation reports from various instruments, mass spectra, and chromatograms. Laboratory data reduction for these instrumental analytical methods is computerized. Contrary to instrumental analyses, most general chemistry analyses and sample preparation methods are not sufficiently automated, and their data are recorded and reduced manually in laboratory notebooks and bench sheets. The SOP for every analytical method performed by the laboratory should contain a section that details calculations used in the method s data reduction. 

The use of computers enables laboratories to greatly improve their production capabilities, but it also creates new tasks and responsibilities. For example, laboratories must verify computer programs used for data reduction in order to confirm the correctness of the calculations. To create an analytical method using commercially available or custom analytical software, laboratory chemists must exercise professional judgment in the selection of appropriate method parameters often accompanied by data entry by hand, which opens the door for errors to creep in. Today, electronic spreadsheets replaced manual calculations, and their correctness must be also verified. 

Laboratories prevent data management errors by implementing QA policies and procedures for data reduction, verification, and software management and by establishing a high standard of professional ethics. 

The most accurate measurements of peak areas are those obtained by means of electronic data reduction with integrators or computers. The vast majority of laboratories now have electronic or computer methods for determining peak areas. Two main features are required for electronic processing of chromatographic data accurate digitization of the analog signal and software. The software is required for the detection of peaks, correction for baseline drift, calculation of peak areas, retention times, and concentrations of components in the sample, and production of the final report.5... 

DAnTE Pacific Northwest National Laboratory Allows users to perform various downstream data analysis, normalization, data reduction, and hypothesis testing steps (http // omics.pnl.gov/software/DAnTE.php)... 

Moreover, TR-XAFS data reduction needs to be performed even at an early stage of a TR-XAFS experiment. To use the available beamtime as efficiently as possible, it is crucial to monitor the progress of a TR experiment by a continuous analysis of the measured spectra. (Compilations of XAFS software can be found at http //www.esrf.fr/computing/... 

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