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This simulation only included random errors. Sample result is at the lower end of the calibration range.įor example if calibration points 2, 1000, 2000, 30 units were used for calibration and the sample with actual concentration of 2.0 units was measured unweighted regression yielded answer of 8.3 but weighted resulted in 1.95 units. Calibration points are distributed equally over the calibration range.Ĥ. Absolute repeatability standard deviation is not constant over given concentration range.ģ. Their simulations effectively demonstrate that advantages of weighting are observed only if all following four things happen simultaneously:ġ. Come back for a visit, and tell your colleagues about the tools.Veronica Meyer 1 published in LC/GC a good simulation aiming to show how much results are influenced by either using or not using weighting in linear regression. In-ADME Research will add other practical tools. Contact us by e-mail to further discuss this.
WEIGHTED REGRESSION EXCEL LICENSE
in-ADME Research may be willing to make available the entire database under an acceptable technology license agreement.
WEIGHTED REGRESSION EXCEL DOWNLOAD
This means that, while you may look up values freely, you may not download or extract by any means a substantial portion (> 20%) of the database without written permission from in-ADME Research. This added value is protected by US and international trademark and copyright laws. Therefore, Wiki-pKa database is a copyrighted product with added value. However, in preparing Wiki-pKa, in-ADME Research curated the original source literature, using considerable deep knowledge of the subject, and thus invested substantial resources to do so. The underlying data in Wiki-pKa are public. LEGAL NOTICE: Wiki-pKa TM is a trademark of in-ADME Research. We believe this to be the first use of Wiki for measured pK a values. Thank you for participating in this experiment in information-sharing. The contribution will be reviewed and posted to the public database, along with a confirmation e-mail sent to the contributor. Contributions may be e-mailed to as an attached Excel TM or tab-delimited text file, where each record consists of eight fields (no white spaces): compound_name, pKa_index(1_for_monoprotic_molecules), pKa_value, standard_deviation, temperature(`C), ionic_strength(M), reference(full_scientific_literature_notation), comment(name,date,conditions,etc.), with as many records as pK a values. Wiki-pKa TM is a user-shared tool to retrieve reliable pK a values (many at 37`C) from a database (1107 records currently, 286 references), or contribute measured pK a values. Weighted Fit is a tool that can do weighted regression analysis, using a power series.
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Microsoft Excel® can do this, BUT the σ(y) values are assumed to be the same for all points. Weighted Fit You may wish to do a linear regression, y(x) = a + b x, using a set of measured quantities: x, y, σ(y) - the independent & dependent variables, & estimated standard deviations, resptively.