Search Results for "fit"

BioXTAS RAW is a program for analysis of Small-Angle X-ray Scattering (SAXS) data. The software enables: creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF as well as electron density reconstructions using DENSS. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis...

This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...

VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers. Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set...

We provided a normal method to fit 2/3D open or closed curves. With fitting results, we can make morphometric analyses of some samples. If you have any questions, please contact Shengmin Zhou(email: 2495077522@qq.com or 220180304@seu.edu.cn). If you want to download this project and use it, please cite the paper: Zhou, S., Li, B. & Nie, H. Parametric fitting and morphometric analysis of 3D open curves based on discrete cosine transform.

...Other parameters can be determined through in-vitro experiments or through extrapolation using published equations. When it is impractical to use these methods to estimate a parameter, techniques can be used to optimize parameters so that model results best fit validation data. This tool was designed to optimize a user-specified list of parameters to a user-specified PBTK model. The user also controls validation data and optimization algorithms. In addition to optimized parameters, the tool outputs statistical information about the fit of the optimized model.

...To normalize data and remove technical variability, Normal Quantile Transformation (NQT) was used, and the normalized data is analyzed using linear regression model to locate any miRNAs which are differentially expressed in a linear manner. Any miRNAs with P-value<0.05 are considered statistically significant. Remaining miRNAs which did not fit in linear model are further analyzed in two different methods: (1) if the number of time points <3, CDF of the normal distribution, and (2) if the number of time points is >= 3, ANOVA is utilized. http://www.gigasciencejournal.com/content/3/1/20

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).

RefineHMM refines an original hidden Markov model (HMM) to find an optimal fit against the evolutionary group that the HMM models, and it does this using through iterative database searches and incremental subsequent adaptation of the seed set.