StatisticsStatistics (from German: Statistik, () "description of a state, a country") is the discipline that concerns the collection, organization, analysis, interpretation, and presentation of data. In applying statistics to a scientific, industrial, or social problem, it is conventional to begin with a statistical population or a statistical model to be studied. Populations can be diverse groups of people or objects such as "all people living in a country" or "every atom composing a crystal".
Statistical inferenceStatistical inference is the process of using data analysis to infer properties of an underlying distribution of probability. Inferential statistical analysis infers properties of a population, for example by testing hypotheses and deriving estimates. It is assumed that the observed data set is sampled from a larger population. Inferential statistics can be contrasted with descriptive statistics. Descriptive statistics is solely concerned with properties of the observed data, and it does not rest on the assumption that the data come from a larger population.
Ion-mobility spectrometry–mass spectrometryIon mobility spectrometry–mass spectrometry (IMS-MS) is an analytical chemistry method that separates gas phase ions based on their interaction with a collision gas and their masses. In the first step, the ions are separated according to their mobility through a buffer gas on a millisecond timescale using an ion mobility spectrometer. The separated ions are then introduced into a mass analyzer in a second step where their mass-to-charge ratios can be determined on a microsecond timescale.
Mass spectrometryMass spectrometry (MS) is an analytical technique that is used to measure the mass-to-charge ratio of ions. The results are presented as a mass spectrum, a plot of intensity as a function of the mass-to-charge ratio. Mass spectrometry is used in many different fields and is applied to pure samples as well as complex mixtures. A mass spectrum is a type of plot of the ion signal as a function of the mass-to-charge ratio.
Tandem mass spectrometryTandem mass spectrometry, also known as MS/MS or MS2, is a technique in instrumental analysis where two or more mass analyzers are coupled together using an additional reaction step to increase their abilities to analyse chemical samples. A common use of tandem MS is the analysis of biomolecules, such as proteins and peptides. The molecules of a given sample are ionized and the first spectrometer (designated MS1) separates these ions by their mass-to-charge ratio (often given as m/z or m/Q).
3D modelingIn 3D computer graphics, 3D modeling is the process of developing a mathematical coordinate-based representation of any surface of an object (inanimate or living) in three dimensions via specialized software by manipulating edges, vertices, and polygons in a simulated 3D space. Three-dimensional (3D) models represent a physical body using a collection of points in 3D space, connected by various geometric entities such as triangles, lines, curved surfaces, etc.
Ion sourceAn ion source is a device that creates atomic and molecular ions. Ion sources are used to form ions for mass spectrometers, optical emission spectrometers, particle accelerators, ion implanters and ion engines. Electron ionization Electron ionization is widely used in mass spectrometry, particularly for organic molecules. The gas phase reaction producing electron ionization is M{} + e^- -> M^{+\bullet}{} + 2e^- where M is the atom or molecule being ionized, e^- is the electron, and M^{+\bullet} is the resulting ion.
Sequential analysisIn statistics, sequential analysis or sequential hypothesis testing is statistical analysis where the sample size is not fixed in advance. Instead data are evaluated as they are collected, and further sampling is stopped in accordance with a pre-defined stopping rule as soon as significant results are observed. Thus a conclusion may sometimes be reached at a much earlier stage than would be possible with more classical hypothesis testing or estimation, at consequently lower financial and/or human cost.
Resolution (mass spectrometry)In mass spectrometry, resolution is a measure of the ability to distinguish two peaks of slightly different mass-to-charge ratios ΔM, in a mass spectrum. There are two different definitions of resolution and resolving power in mass spectrometry. The IUPAC definition for resolution in mass spectrometry is Where a larger resolution indicates a better separation of peaks. This definition is used in a number of mass spectrometry texts. This use is also implied by the term "high-resolution mass spectrometry.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
Time-of-flight mass spectrometryTime-of-flight mass spectrometry (TOFMS) is a method of mass spectrometry in which an ion's mass-to-charge ratio is determined by a time of flight measurement. Ions are accelerated by an electric field of known strength. This acceleration results in an ion having the same kinetic energy as any other ion that has the same charge. The velocity of the ion depends on the mass-to-charge ratio (heavier ions of the same charge reach lower speeds, although ions with higher charge will also increase in velocity).
Solid modelingSolid modeling (or solid modelling) is a consistent set of principles for mathematical and computer modeling of three-dimensional shapes (solids). Solid modeling is distinguished within the broader related areas of geometric modeling and computer graphics, such as 3D modeling, by its emphasis on physical fidelity. Together, the principles of geometric and solid modeling form the foundation of 3D-computer-aided design and in general support the creation, exchange, visualization, animation, interrogation, and annotation of digital models of physical objects.
Statistical modelA statistical model is a mathematical model that embodies a set of statistical assumptions concerning the generation of sample data (and similar data from a larger population). A statistical model represents, often in considerably idealized form, the data-generating process. When referring specifically to probabilities, the corresponding term is probabilistic model. A statistical model is usually specified as a mathematical relationship between one or more random variables and other non-random variables.
Analysis of varianceAnalysis of variance (ANOVA) is a collection of statistical models and their associated estimation procedures (such as the "variation" among and between groups) used to analyze the differences among means. ANOVA was developed by the statistician Ronald Fisher. ANOVA is based on the law of total variance, where the observed variance in a particular variable is partitioned into components attributable to different sources of variation.
Computer graphicsComputer graphics deals with generating s and art with the aid of computers. Today, computer graphics is a core technology in digital photography, film, video games, digital art, cell phone and computer displays, and many specialized applications. A great deal of specialized hardware and software has been developed, with the displays of most devices being driven by computer graphics hardware. It is a vast and recently developed area of computer science. The phrase was coined in 1960 by computer graphics researchers Verne Hudson and William Fetter of Boeing.
Computer experimentA computer experiment or simulation experiment is an experiment used to study a computer simulation, also referred to as an in silico system. This area includes computational physics, computational chemistry, computational biology and other similar disciplines. Computer simulations are constructed to emulate a physical system. Because these are meant to replicate some aspect of a system in detail, they often do not yield an analytic solution. Therefore, methods such as discrete event simulation or finite element solvers are used.
Procedural modelingProcedural modeling is an umbrella term for a number of techniques in computer graphics to create 3D models and textures from sets of rules. L-Systems, fractals, and generative modeling are procedural modeling techniques since they apply algorithms for producing scenes. The set of rules may either be embedded into the algorithm, configurable by parameters, or the set of rules is separate from the evaluation engine. The output is called procedural content, which can be used in computer games, films, be uploaded to the internet, or the user may edit the content manually.
Structural bioinformaticsStructural bioinformatics is the branch of bioinformatics that is related to the analysis and prediction of the three-dimensional structure of biological macromolecules such as proteins, RNA, and DNA. It deals with generalizations about macromolecular 3D structures such as comparisons of overall folds and local motifs, principles of molecular folding, evolution, binding interactions, and structure/function relationships, working both from experimentally solved structures and from computational models.
Computer-aided designComputer-Aided Design (CAD) is the use of computers (or ) to aid in the creation, modification, analysis, or optimization of a design. This software is used to increase the productivity of the designer, improve the quality of design, improve communications through documentation, and to create a database for manufacturing. Designs made through CAD software are helpful in protecting products and inventions when used in patent applications. CAD output is often in the form of electronic files for print, machining, or other manufacturing operations.
Design of experimentsThe design of experiments (DOE or DOX), also known as experiment design or experimental design, is the design of any task that aims to describe and explain the variation of information under conditions that are hypothesized to reflect the variation. The term is generally associated with experiments in which the design introduces conditions that directly affect the variation, but may also refer to the design of quasi-experiments, in which natural conditions that influence the variation are selected for observation.
