Nuclear magnetic resonance spectroscopy of proteinsNuclear magnetic resonance spectroscopy of proteins (usually abbreviated protein NMR) is a field of structural biology in which NMR spectroscopy is used to obtain information about the structure and dynamics of proteins, and also nucleic acids, and their complexes. The field was pioneered by Richard R. Ernst and Kurt Wüthrich at the ETH, and by Ad Bax, Marius Clore, Angela Gronenborn at the NIH, and Gerhard Wagner at Harvard University, among others.
Resonance Raman spectroscopyResonance Raman spectroscopy (RR spectroscopy or RRS) is a variant of Raman spectroscopy in which the incident photon energy is close in energy to an electronic transition of a compound or material under examination. This similarity in energy (resonance) leads to greatly increased intensity of the Raman scattering of certain vibrational modes, compared to ordinary Raman spectroscopy. Resonance Raman spectroscopy has much greater sensitivity than non-resonance Raman spectroscopy, allowing for the analysis of compounds with inherently weak Raman scattering intensities, or at very low concentrations.
Mean squared errorIn statistics, the mean squared error (MSE) or mean squared deviation (MSD) of an estimator (of a procedure for estimating an unobserved quantity) measures the average of the squares of the errors—that is, the average squared difference between the estimated values and the actual value. MSE is a risk function, corresponding to the expected value of the squared error loss. The fact that MSE is almost always strictly positive (and not zero) is because of randomness or because the estimator does not account for information that could produce a more accurate estimate.
Sampling (signal processing)In signal processing, sampling is the reduction of a continuous-time signal to a discrete-time signal. A common example is the conversion of a sound wave to a sequence of "samples". A sample is a value of the signal at a point in time and/or space; this definition differs from the term's usage in statistics, which refers to a set of such values. A sampler is a subsystem or operation that extracts samples from a continuous signal. A theoretical ideal sampler produces samples equivalent to the instantaneous value of the continuous signal at the desired points.
Principal component regressionIn statistics, principal component regression (PCR) is a regression analysis technique that is based on principal component analysis (PCA). More specifically, PCR is used for estimating the unknown regression coefficients in a standard linear regression model. In PCR, instead of regressing the dependent variable on the explanatory variables directly, the principal components of the explanatory variables are used as regressors.
Total least squaresIn applied statistics, total least squares is a type of errors-in-variables regression, a least squares data modeling technique in which observational errors on both dependent and independent variables are taken into account. It is a generalization of Deming regression and also of orthogonal regression, and can be applied to both linear and non-linear models. The total least squares approximation of the data is generically equivalent to the best, in the Frobenius norm, low-rank approximation of the data matrix.
Mean absolute percentage errorThe mean absolute percentage error (MAPE), also known as mean absolute percentage deviation (MAPD), is a measure of prediction accuracy of a forecasting method in statistics. It usually expresses the accuracy as a ratio defined by the formula: where At is the actual value and Ft is the forecast value. Their difference is divided by the actual value At. The absolute value of this ratio is summed for every forecasted point in time and divided by the number of fitted points n.
Master dataMaster data represents "data about the business entities that provide context for business transactions". The most commonly found categories of master data are parties (individuals and organisations, and their roles, such as customers, suppliers, employees), products, financial structures (such as ledgers and cost centres) and locational concepts. Master data should be distinguished from reference data. While both provide context for business transactions, reference data is concerned with classification and categorisation, while master data is concerned with business entities.
Nyquist–Shannon sampling theoremThe Nyquist–Shannon sampling theorem is an essential principle for digital signal processing linking the frequency range of a signal and the sample rate required to avoid a type of distortion called aliasing. The theorem states that the sample rate must be at least twice the bandwidth of the signal to avoid aliasing distortion. In practice, it is used to select band-limiting filters to keep aliasing distortion below an acceptable amount when an analog signal is sampled or when sample rates are changed within a digital signal processing function.
Regularized least squaresRegularized least squares (RLS) is a family of methods for solving the least-squares problem while using regularization to further constrain the resulting solution. RLS is used for two main reasons. The first comes up when the number of variables in the linear system exceeds the number of observations. In such settings, the ordinary least-squares problem is ill-posed and is therefore impossible to fit because the associated optimization problem has infinitely many solutions.
