Search Results for "phi"

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...

The tofsims project is an R/Bioconductor toolkit designed for processing, analyzing, and visualizing imaging mass spectrometry data from Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) instruments. It supports importing raw and preprocessed data from popular instrument platforms (e.g. IONTOF, Ulvac-Phi) and provides methods for mass calibration, peak picking, and peak integration. The package allows transformation of spectra into 2D image structures (mass images), with operations such as binning, scaling, subsetting, and visual rendering. For data exploration and dimensionality reduction, it includes multivariate methods common in the ToF-SIMS community: PCA (Principal Component Analysis), MCR (Multivariate Curve Resolution), MAF (Maximum Autocorrelation Factors), and MNF (Minimum Noise Fraction). ...