Search Results for "calculation"

The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data.

airda(Air Data Agent) is a multi-smart body for data analysis, capable of understanding data development and data analysis needs, understanding data, generating data-oriented queries, data visualization, machine learning and other tasks of SQL and Python codes.

xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More...

The hsdar package contains classes and functions to manage, analyse and simulate hyperspectral data. These might be either spectrometer measurements or hyperspectral images through the interface of rgdal.

...White Paper, 57-23. Lawrence, J. A., & Pasternack, B. A. (2002). Applied management science. Willey, Chichester. Microsoft. Office Dev Center (2017). Excel performance: Improving calculation per

For big OME data analysis, we integrate commonly used quantitative methods, describe our novel strategies to quantify and analyze biological markers related to the cell or organelle spatial-coordinate model, and present open-source OME-3-Dimensional Reconstruction (OME-3DR), a flexible, programmable and batch-oriented tool based on OME data, for reconstructing 3-dimensional (3D) spatial conformations and conducting further analyses, such as the identification, counting, localization and tracking of bio-imaging markers, calculation of model-contour parameters for association analyses, establishing spatial-coordinate system, 3D co-localization analyses and so on. OME-3DR is well modularized (for automation, three main menus integrate hundreds of sub-functions), easy to use and ingenious; indeed, after setting the corresponding parameters, batch processing is relatively straightforward when beginning the 3D model reconstruction...

The X-ray Strain Orientation Calculation Software (X-SOCS) is a user-friendly software, developed for automatic analysisof 5D sets of data recorded during continuous mapping measurements. X-SOCS aims at retrieving strain and tilt maps of nanostructures, films, surfaces or even embedded structures. For more information: http://scripts.iucr.org/cgi-bin/paper?S1600576714004506 To download the latest version of XSOCS (D.

ThermV thermal analysis software package aims to provide the most sophisticated automatic analysis of thermal analysis data (TG/DTG, DTA and DSC). It offers new algorithm for concurrent peak deconvolution at different heating rates and provides full kinetic analysis of these data, including isoconversional methods for Ea, determination of reaction model and full kinetic triplet, Avrami coefficients, and dimensionality of crystal growth for reactions in the solid state. The project is...

There are functions for numerical integration of the standard normal probability distribution. They can be used to find probabilities, find z-alpha values, calculate confidence interval, etc. New functionality I wish to add are hypothesis testing and calculation of p-value, type I & II errors, etc. These functions would come in handy to anyone taking introductory or intermediate-level courses in probability, statistics and data analysis. There are several numerical integration techniques (Riemann sum, Simpson's method, Taylor expansion, etc.) that can be employed in this task, which I hope to add soon. ...

BigBang/Horizon is a proteomics data analysis pipeline with focus on the shotgun LC/MSMS workflow.