The Unscrambler X is a commercial

software Software consists of computer programs that instruct the Execution (computing), execution of a computer. Software also includes design documents and specifications. The history of software is closely tied to the development of digital comput ...

product for

multivariate data analysis Multivariate statistics is a subdivision of statistics encompassing the simultaneous observation and analysis of more than one outcome variable, i.e., ''multivariate random variables''. Multivariate statistics concerns understanding the differe ...

, used for

calibration In measurement technology and metrology, calibration is the comparison of measurement values delivered by a device under test with those of a calibration standard of known accuracy. Such a standard could be another measurement device of known ...

of multivariate data which is often in the application of analytical data such as

near infrared spectroscopy Near-infrared spectroscopy (NIRS) is a spectroscopic method that uses the near-infrared region of the electromagnetic spectrum (from 780 nm to 2500 nm). Typical applications include medical and physiological diagnostics and research incl ...

and

Raman spectroscopy Raman spectroscopy () (named after physicist C. V. Raman) is a Spectroscopy, spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Ra ...

, and development of predictive models for use in real-time

spectroscopic analysis Spectroscopy is the field of study that measures and interprets electromagnetic spectra. In narrower contexts, spectroscopy is the precise study of color as generalized from visible light to all bands of the electromagnetic spectrum. Spectrosc ...

of materials. The software was originally developed in 1986 by Harald Martens and later by CAMO Software.

Functionality

The Unscrambler X was an early adaptation of the use of

partial least squares Partial least squares (PLS) regression is a statistics, statistical method that bears some relation to principal component regression, principal components regression and is a reduced rank regression; instead of finding hyperplanes of maximum vari ...

(PLS). Other techniques supported include

principal component analysis Principal component analysis (PCA) is a linear dimensionality reduction technique with applications in exploratory data analysis, visualization and data preprocessing. The data is linearly transformed onto a new coordinate system such that th ...

(PCA), 3-way PLS, multivariate curve resolution,

design of experiments The design of experiments (DOE), 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. ...

, supervised classification,

unsupervised classification Unsupervised learning is a framework in machine learning where, in contrast to supervised learning, algorithms learn patterns exclusively from unlabeled data. Other frameworks in the spectrum of supervisions include weak- or semi-supervision, wh ...

and

cluster analysis Cluster analysis or clustering is the data analyzing technique in which task of grouping a set of objects in such a way that objects in the same group (called a cluster) are more Similarity measure, similar (in some specific sense defined by the ...

. The software is used in spectroscopy (IR, NIR, Raman, etc.), chromatography, and process applications in research and non-destructive

quality control Quality control (QC) is a process by which entities review the quality of all factors involved in production. ISO 9000 defines quality control as "a part of quality management focused on fulfilling quality requirements". This approach plac ...

systems in pharmaceutical manufacturing,

sensory analysis Sensory may refer to: Biology * Sensory ecology, how organisms obtain information about their environment * Sensory neuron, nerve cell responsible for transmitting information about external stimuli * Sensory perception, the process of acquir ...

and the

chemical industry The chemical industry comprises the companies and other organizations that develop and produce industrial, specialty and other chemicals. Central to the modern world economy, the chemical industry converts raw materials ( oil, natural gas, air, ...

.Emilio Marengo, Elisa Robotti, Daniela Cecconi, Mahmoud Hamdan, Aldo Scarpa & Pier Giorgio Righetti (2004) ''Identification of the regulatory proteins in human pancreatic cancers treated with Trichostatin A by 2D-PAGE maps and multivariate statistical analysis'' Analytical and Bioanalytical Chemistry 379(7):992-1003

References

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