Chemometrics in spectroscopy / Howard Mark, Jerry Workman Jr

Includes bibliographical references and index

Contents 1A new beginning ... 2Elementary matrix algebra : part 1 3Elementary matrix algebra : part 2 4Matrix algebra and multiple linear regression : part 1 5Matrix algebra and multiple linear regression : part 2 6Matrix algebra and multiple linear regression : part 3 - the concept of determinants 7Matrix algebra and multiple linear regression : part 4 - concluding remarks 8Experimental designs : part 1 9Experimental designs : part 2 10Experimental designs : part 3 11Analytic geometry : part 1 - the basics in two and three dimensions 12Analytic geometry : part 2 - geometric representation of vectors and algebraic operations 13Analytic geometry : part 3 - reducing dimensionality 14Analytic geometry : part 4 - the geometry of vectors and matrices 15Experimental designs : part 4 - varying parameters to expand the design 16Experimental designs : part 5 - one-at-a-time designs 17Experimental designs : part 6 - sequential designs 18Experimental designs : part 7 - [beta], the power of a test 19Experimental designs : part 8 - [beta], the power of a test (continued) 20Experimental designs : part 9 - sequential designs concluded 21Calculating the solution for regression techniques : part 1 - multivariate regression made simple 22Calculating the solution for regression techniques : part 2 - principal component(s) regression made simple 23Calculating the solution for regression techniques : part 3 - partial least squares regression made simple 24Looking behind and ahead : interlude 25A simple question : the meaning of chemometrics pondered 26Calculating the solution for regression techniques : part 4 - singular value decomposition 27Linearity in calibration 28Challenges : unsolved problems in chemometrics 29Linearity in calibration : act II scene I 30Linearity in calibration : act II scene II - reader's comments ... 31Linearity in calibration : act II scene III 32Linearity in calibration : act II scene IV 33Linearity in calibration : act II scene V 34Collaborative laboratory studies : part 1 - a blueprint 35Collaborative laboratory studies : part 2 - using ANOVA 36Collaborative laboratory studies : part 3 - testing for systematic error 37Collaborative laboratory studies : part 4 - ranking test 38Collaborative laboratory studies : part 5 - efficient comparison of two methods 39Collaborative laboratory studies : part 6 - MathCad worksheet text 40Is noise brought by the stork? : analysis of noise : part 1 41Analysis of noise : part 2 42Analysis of noise : part 3 43Analysis of noise : part 4 44Analysis of noise : part 5 45Analysis of noise : part 6 46Analysis of noise : part 7 47Analysis of noise : part 8 48Analysis of noise : part 9 49Analysis of noise : part 10 50Analysis of noise : part 11 51Analysis of noise : part 12 52Analysis of noise : part 13 53Analysis of noise : part 14 54Derivatives in spectroscopy : part 1 - the behavior of the derivative 55Derivatives in spectroscopy : part 2 - the "true" derivative 56Derivatives in spectroscopy : part 3 - computing the derivative 57Derivatives in spectroscopy : part 4 - calibrating with derivatives 58Comparison of goodness of fit statistics for linear regression : part 1 - introduction 59Comparison of goodness of fit statistics for linear regression : part 2 - the correlation coefficient 60Comparison of goodness of fit statistics for linear regression : part 3 - computing confidence limits for the correlation coefficient 61Comparison of goodness of fit statistics for linear regression : part 4 - confidence limits for slope and intercept 62Correction and discussion regarding derivatives 63Linearity in calibration : act III scene I - importance of nonlinearity 64Linearity in calibration : act III scene II - a discussion of the Durbin-Watson statistic, a step in the right direction 65Linearity in calibration : act III scene III - other tests for nonlinearity 66Linearity in calibration : act III scene IV - how to test for nonlinearity 67Linearity in calibration : act III scene V - quantifying nonlinearity 68Linearity in calibration : act III scene VI - quantifying nonlinearity, part II, and a news flash 69Connecting chemometrics to statistics : part 1 - the chemometrics side 70Connecting chemometrics to statistics : part 2 - the statistics side 71Limitations in analytical accuracy : part 1 - Horwitz's trumpet 72Limitations in analytical accuracy : part 2 - theories to describe the limits in analytical accuracy 73Limitations in analytical accuracy : part 3 - comparing test results for analytical uncertainty 74The statistics of spectral searches 75The chemometrics of imaging spectroscopy