In:
Journal of AOAC INTERNATIONAL, Oxford University Press (OUP), Vol. 77, No. 3 ( 1994-05-01), p. 777-781
Abstract:
Analytical chemistry makes use of a wide range of basic statistical operations, including means; standard deviations; significance tests based on assumed distributions; and linear, polynomial, and multivariate regression. The effects of limited numerical precision, poor choice of algorithm, and extreme dynamic range on these common statistical operations are discussed. The effects of incorrect choice of algorithm on calculations of basic statistical parameters and calibration lines are illustrated by examples. Some approaches to validation of such software are considered. The preparation of reference data sets for testing statistical software is discussed. The use of ‘null space’ methods for producing reference data sets is described, and an example is given. These data sets have well-characterized properties and can be used to test the accuracy of basic statistical procedures. Specific properties that are controlled include the numerical precision required to represent the sets exactly and the analytically correct answers. A further property of some of the data sets under development is the predictability of the deviation from the expected results resulting from poor choice of algorithm.
Type of Medium:
Online Resource
ISSN:
1060-3271
,
1944-7922
DOI:
10.1093/jaoac/77.3.777
Language:
English
Publisher:
Oxford University Press (OUP)
Publication Date:
1994
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