The most common procedures and equations used in the statistical analysis of KIE measurements are listed in Table 1. The derivation and proofs of these expressions can be found in most common statistics or chemistry textbooks (Calcutt and Boddy, 1983 and Skoog et al., 1998) and are therefore not discussed in detail here. Error propagation should start with the individual rate measurements and their experimental errors, and should be carried throughout the entire data analysis whether the results reported are averaged values or subject to regression. When reporting the results from multiple assays the number of independent measurements must be clearly stated in the

figure or table legend. The standard deviation (sdev) describes the precision of a single measurement and thus shows how much variation or “dispersion” exists from the average. For a normal distribution of measurements it is common to report sdev Selleck Ibrutinib as in Table 1, which describes the deviation from the average value where 68.2% of the measured values are found (i.e., 1σ). In cases where higher precision is needed, the distribution in which 95.4% of the measured values are found Selleckchem AZD5363 (i.e., 2σ) can also be calculated ( Calcutt and Boddy, 1983; Skoog et al., 1998). The reliability of the reported value increases when more experiments are conducted, and for more than 7 independent measurements this reliability can be estimated from about twice the

standard error (a factor known as the 95% confidence interval). Standard errors (serr) describe the variability of a population of data and reveal information concerning the reproducibility

Baricitinib of the measurement. For less than 7 independent measurements, it is more meaningful to report standard deviation and the number of measurements (N). While either the standard deviation or error may be appropriate for a given set of data, the parameter used should always be clearly noted when reporting isotope effects. In addition, one should always state which statistical method was used in the analysis (i.e. method of least squares, confidence limits) so the reader can determine the meaning of the reported uncertainty. The final conclusions drawn from isotope effect studies rarely arise from a single KIE, but rather from the KIE as function of various parameters, i.e., the trend of the data collected over a range of experimental conditions. KIE measurements are often examined as a function of pH (Cook and Cleland, 1981a, Cook and Cleland, 1981b, Francis and Gadda, 2006 and Gadda et al., 2000), temperature (Kohen et al., 1999, Limbach et al., 2006, Nagel and Klinman, 2006, Roston et al., 2012 and Wang et al., 2006), pressure (Hay et al., 2007, Hay et al., 2010, Hay et al., 2012 and Pudney et al., 2010), concentration of another substrate (Fan and Gadda, 2005 and Hong et al., 2007), or fraction conversion (for competitive KIEs) (Kohen et al., 1999; Sikorski et al., 2004; Stojkovic et al.