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Title: AUTOMATED ANALYSIS OF REPLICATED CHROMATOGRAPHIC DATA: ARRAY BASIC AND VISUAL BASIC PROGRAMS

Author
item Moyer, Thomas
item Shapiro, Jeffrey

Submitted to: Galactic Enquirer
Publication Type: Trade Journal
Publication Acceptance Date: 6/1/1996
Publication Date: N/A
Citation: N/A

Interpretive Summary: Two computer software programs were written to expedite the analysis of chemical data collected from an instrument such as a gas chromatograph (GC) or liquid chromatograph (HPLC) on a desktop computer. These instruments are used to determine the quantities of natural chemicals in citrus roots. Those natural products may defend roots against insects or pathogens. After extracting complex mixtures of chemicals from roots, they are separated and analyzed on a GC or HPLC, and data is stored on a desktop computer. The amount of each chemical in a root sample is then determined by employing the software programs described here. The first program, MULTPROC.AB, converts data from graphical (chromatogram) form to tabular form and prints a copy of combined chromatogram and table, when the program is run in conjunction with GRAMS chromatographic software from Galactic Industries Corporation. Using a second program, DATATABL.XLS, in conjunction with the Excel spreadsheet program from Microsoft Corp., the tables are collected into a master spreadsheet for statistical analysis. Used together, these programs reduce the time required to analyze a large set of samples by approximately 75%.

Technical Abstract: Two computer software programs were written to expedite the analysis of replicated chromatographic data collected from an instrument such as a gas chromatograph (GC) or liquid chromatograph (HPLC) on a desktop computer. These instruments are used to determine the quantities of natural products such as pyranocoumarins in citrus roots. Natural products such as the pyranocoumarins may defend roots against insects or pathogens. The programs are run with GRAMS chromatographic software from Galactic Industries Corporation and Excel spreadsheet software from Microsoft Corporation. The first program, MULTPROC.AB, allows the chromatographer to convert batches of chromatographic data files into data tables stored in ASCII format, save them, and then print both graphs and tables automatically for use in a folder or laboratory notebook. Program options include user selection of files either in ordered sets or individually, selection of integration parameters by zooming on peaks in a representative graph, and automatic printing following integration. The second program, DATATABL.XLS, copies the data from each ASCII data table file and pastes it into a master spreadsheet for statistical analysis. Program options include peak picking by zooming in on peaks and user selection of the peak elution time window. Together, the two programs reduce the time required to analyze a large set of samples by approximately 75%.