Search Results for "fitting"

GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program.

Eleana is a program for manipulating, modifying and analyzing various spectroscopic data, in particular electron paramagnetic resonance spectra. It allows you to import data from Bruker spectrometers such as Elexsys or EMX and data from any ASCII file or imported from the clipboard. The program is under constant development, but already has many functions implemented for spectral analysis. Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration /...

..., microtron, linear and scaling FFAG, multi-pass ERL, etc.) and optical systems (magnetic and electrostatic optical components and beam lines, time-of-flight and mass spectrometers, etc.). It includes built-in fitting procedures, with a wide variety of constraints. It includes synchrotron radiation Poynting vector tracking, synchrotron radiation energy loss, space charge modeling, several Monte Carlo procedures.

Blueprint XAS is a Matlab-based suite designed for the processing and analysis of near-edge x-ray absorption spectroscopy (XAS) data. The suite is designed primarily to assist users in exploring reasonable fit solutions while minimizing user bias.

... of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. The usage of these tools decreases the labor effort, lowers manual input errors and reduces the time needed for accurate MM parameterization efforts.

Analysis software for MRS/NMR data. Allows processing and fitting to be performed in a fully automatic workflow.

A 3D graphical interface for building, simulating and optimizing Markov kinetic models in response to user defined time dependent stimuli. Models can be represented as either states and connecting transitions or interacting allosteric elements (see http://dx.doi.org/10.1085/jgp.201411183). Model parameters can be optimized by fitting model responses to user data. Optional user defined constraint equations for model parameters are parsed with EigenLab (https://github.com/marcel-goldschen-ohm...

This MATLAB script calculates pressure as a function of time inside a submerged membrane-bound compartment containing an aqueous PEG solution as an osmotic driver. It can also be used to calculate a membrane's hydraulic permeability by fitting experimental data. The model used accounts for the dilution effects caused by the compartment's expansion. All of this project's resources can be found in the "Files" section.

SIMulation of Biological systems (developed at the TU Munich) This program allows to define ODE-models or stochastic compartemental models of biological processes, to simulate, to fit data and to do some statistics (fitting and statistics for deterministic models only).

Tissue Modeling Tool (TMT) is a Matlab-based open source project aiming to share constitutive modeling code and algorithms within the tissue biomechanics community. It is meant to be modular, fast, and easily extensible.

Its a model fitting framework which optimizes the model parameters to make the model output match the desired data.