Big dataBig data primarily refers to data sets that are too large or complex to be dealt with by traditional data-processing application software. Data with many entries (rows) offer greater statistical power, while data with higher complexity (more attributes or columns) may lead to a higher false discovery rate. Though used sometimes loosely partly because of a lack of formal definition, the interpretation that seems to best describe big data is the one associated with a large body of information that we could not comprehend when used only in smaller amounts.
Desorption electrospray ionizationDesorption electrospray ionization (DESI) is an ambient ionization technique that can be coupled to mass spectrometry (MS) for chemical analysis of samples at atmospheric conditions. Coupled ionization sources-MS systems are popular in chemical analysis because the individual capabilities of various sources combined with different MS systems allow for chemical determinations of samples. DESI employs a fast-moving charged solvent stream, at an angle relative to the sample surface, to extract analytes from the surfaces and propel the secondary ions toward the mass analyzer.
Data scienceData science is an interdisciplinary academic field that uses statistics, scientific computing, scientific methods, processes, algorithms and systems to extract or extrapolate knowledge and insights from noisy, structured, and unstructured data. Data science also integrates domain knowledge from the underlying application domain (e.g., natural sciences, information technology, and medicine). Data science is multifaceted and can be described as a science, a research paradigm, a research method, a discipline, a workflow, and a profession.
Potential energy surfaceA potential energy surface (PES) describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms. The surface might define the energy as a function of one or more coordinates; if there is only one coordinate, the surface is called a potential energy curve or . An example is the Morse/Long-range potential. It is helpful to use the analogy of a landscape: for a system with two degrees of freedom (e.g.
Data dredgingData dredging (also known as data snooping or p-hacking) is the misuse of data analysis to find patterns in data that can be presented as statistically significant, thus dramatically increasing and understating the risk of false positives. This is done by performing many statistical tests on the data and only reporting those that come back with significant results.
Exploratory data analysisIn statistics, exploratory data analysis (EDA) is an approach of analyzing data sets to summarize their main characteristics, often using statistical graphics and other data visualization methods. A statistical model can be used or not, but primarily EDA is for seeing what the data can tell us beyond the formal modeling and thereby contrasts traditional hypothesis testing. Exploratory data analysis has been promoted by John Tukey since 1970 to encourage statisticians to explore the data, and possibly formulate hypotheses that could lead to new data collection and experiments.
Testing hypotheses suggested by the dataIn statistics, hypotheses suggested by a given dataset, when tested with the same dataset that suggested them, are likely to be accepted even when they are not true. This is because circular reasoning (double dipping) would be involved: something seems true in the limited data set; therefore we hypothesize that it is true in general; therefore we wrongly test it on the same, limited data set, which seems to confirm that it is true.
Data warehouseIn computing, a data warehouse (DW or DWH), also known as an enterprise data warehouse (EDW), is a system used for reporting and data analysis and is considered a core component of business intelligence. Data warehouses are central repositories of integrated data from one or more disparate sources. They store current and historical data in one single place that are used for creating analytical reports for workers throughout the enterprise. This is beneficial for companies as it enables them to interrogate and draw insights from their data and make decisions.
MetastabilityIn chemistry and physics, metastability denotes an intermediate energetic state within a dynamical system other than the system's state of least energy. A ball resting in a hollow on a slope is a simple example of metastability. If the ball is only slightly pushed, it will settle back into its hollow, but a stronger push may start the ball rolling down the slope. Bowling pins show similar metastability by either merely wobbling for a moment or tipping over completely. A common example of metastability in science is isomerisation.
Nuclear isomerA nuclear isomer is a metastable state of an atomic nucleus, in which one or more nucleons (protons or neutrons) occupy higher energy levels than in the ground state of the same nucleus. "Metastable" describes nuclei whose excited states have half-lives 100 to 1000 times longer than the half-lives of the excited nuclear states that decay with a "prompt" half life (ordinarily on the order of 10−12 seconds). The term "metastable" is usually restricted to isomers with half-lives of 10−9 seconds or longer.
