Search Results for "peak"
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Showing 40 open source projects for "peak"
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...It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. The nmrshiftdb2 software is open source, the data is published under an open content license. The core of nmrshitdb2 are fully assigned spectra with raw data and peak lists (we have pure peak lists as well). Those datasets are peer reviewed by a board of reviewers. The project is supported by a scientific advisory board. nmrshiftdb2 is part of the NFDI4Chem initiative (https://nfdi4chem.de/) and will provide a component for a curated repository there. Please consult the documentation for more detailed information.
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KherveFitting
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
⚠️ KherveFitting has moved. New releases will no longer be published here. Download the latest version from https://khervetools.com or directly from GitHub: https://github.com/KherveFitting/KherveFitting/releases/latest. This SourceForge page is kept for archival/older versions only. YouTube Channel: https://www.youtube.com/@xpsexamples-imperialcolleg6571 -
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AtomProbeLab
Matlab-based analysis of Atom Probe Data
A collection of scripts and functions for the analysis of atom probe tomography data. Currently, this includes: standard file operations, plotting mass spectra, mass spectra analysis and mass peak overlap solving. For more information see the Wiki: https://sourceforge.net/p/atomprobelab/wiki/Home/ Quick overview video: https://youtu.be/8rJHce7M5UU More in-depth video using the APT school demos live script: https://www.youtube.com/watch?v=cyrLHCzZwuw For details of the maximum likelihood method used to solve peak overlaps see the following papers: https://doi.org/10.1017/S1431927616012782 and https://doi.org/10.1017/S1431927618016276 for the quantification of the uncertainty. ... -
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CTK
CLIP Tool Kit (CTK)
CTK (CLIP Tool Kit) is a computational biology toolkit implemented in Perl, designed for analyzing CLIP sequencing data. It offers a streamlined pipeline from raw reads through peak calling and motif discovery. -
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GrainSizeTools script
A Python script for estimating the grain size from thin sections
Homepage & docs: http://marcoalopez.github.io/GrainSizeTools/ GrainSizeTools is a free, open-source, cross-platform script written in Python that provides several tools for (1) estimating average grain size in polycrystalline materials, (2) characterizing the nature of the distribution of grain sizes (either from apparent distributions or approximating 3D grain size distributions via stereology), and estimating differential stress via paleopizometers. The script requires as the input the... -
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Raman Data Search and Storage
A Raman spectra library with search and storage function.
Raman Data Search and Storage (RDSS) software was developed as an analytical tool for a fast and accurate identification of unknown minerals by comparison of their spectra with the indexed library of data. A search function was implemented to enable users to find a specific peak value. Using the asterisk character (*) as a placeholder for one or more unknown peak value(s), the software will return the best match(es). Besides the search utility by the Raman band positions, which was proven to be priceless in the interpretation of Raman spectra, the RDSS software gives the user the ability to display and inspect the Raman spectra quickly and very efficiently. ... -
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AlphaPlot
Interactive scientific graphing and data analysis software.
Alpha Plot can generate different types of 2D and 3D plots (such as line, scatter, bar, pie, and surface plots) from data that is either imported from ASCII files, entered by hand, or calculated using formulas. The data is held in spreadsheets which are referred to as tables with column-based data (typically X and Y values for 2D plots) or matrices (for 3D plots). The spreadsheets as well as graphs and note windows are gathered in a project and can be organized using folders. The built-in... -
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HistogramsApp
Application that generates KDE-PDP plots from geochronological data
HistogramsApp is a Python 3.6 application that generates (KDE and PDP) from geochronological data .HistogramsApp allows to interactively setup plot parameters such as the bandwidth and the peak detection sensibility. To cite the application please refer to: 1) https://www.tandfonline.com/doi/abs/10.1080/00206814.2021.1954556?journalCode=tigr20 Rodriguez-Corcho, A. F., Rojas-Agramonte, Y., Barrera-Gonzalez, J. A., Marroquin-Gomez, M. P., Bonilla-Correa, S., Izquierdo-Camacho, D., ... & Montes, C. (2021). The Colombian geochronological database (CGD). ... -
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Rainflow
Fast rainflow counting written in C (C99)
Rainflow Counting Algorithm (4-point-method), C99 compliant. "Rainflow Counting" consists of four main steps: 1. Hysteresis Filtering 2. Peak-Valley Filtering 3. Discretization 4. Four Point Counting Method: These steps are fully documented in standards such as ASTM E1049 "Standard Practices for Cycle Counting in Fatigue Analysis" [1]. This implementation uses the 4-point algorithm mentioned in [2]. To take the residue into account, you may implement a custom method or use some predefined functions... -
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QtiPlot is a user-friendly, platform independent data analysis and visualization application similar to the non-free Windows program Origin.
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DetectorCalibration
Peak and global efficiency of radiation source-detector equipment
This software uses Geant4 simulation toolkit for computing detector efficiency in terms of peak efficiency and gross efficiency. It is designed mainly for gamma detectors (NaI or HpGe) but can be extended for beta or any other radiation type. Radiation source can be frontal beam, point source, Sarpagan baker (cylinder) and Marinelli baker. Due to the nature of Monte Carlo simulation technique, all geometries involved must be well known for accurate results! -
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RadiationHelper
Alpha, Beta, Gamma measurements and Nuclide exposure
RadiationHelper is a data analysis tool for : 1. gross alpha and beta radiation measurement and detector calibration using experimental data (counts acquired by alpha-beta devices). 2. gamma spectroscopy measurements and detector calibration using experimental data (spectra acquired by acquisition software such as Assayer, Gamma Vision, Maestro) 3. gross alpha,beta, gamma detector efficiencies and gamma peak efficiency can be theoretical computed using Monte-Carlo simulation technique for radiation transport (based on EGSnrc toolkit) 4.dose assessment in human body exposed to radiations from nuclides in several common scenarios such as air exposure, water submersion, ground surface, internal ingestion or inhalation. 5. quick dosimetry and shielding computations. ... -
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OpenChrom is a tool for gas chromatography and mass spectrometry. The focus is to handle data files from different GC/MS and GC/FID systems and vendors. Its functionality and algorithms can be extended using a flexible plugin approach, based on Eclipse RCP.
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TOFSIMS
R/Bioconductor toolkit for mass spectrometry data
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). ... -
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AI learning
AiLearning, data analysis plus machine learning practice
...We are iBooker, a large open-source community, we-media, and online earning community, with a QQ group of more than 10,000 people and at least 10,000 subscribers. The number of Github Stars exceeds 60k, and it ranks in the top 100 of all Github organizations. The daily up of all its websites exceeds 4k, and the peak of Alexa ranking is 20k. Our core members are certified as CSDN blog experts and short-book programmers as excellent authors. We have established ApacheCN, a non-profit document, and tutorial translation project. -
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Canvas-2DGC
A user-extensible Freemat based 1DGC and GCxGC data analysis software.
Canvas-2DGC is a user-extensible, Freemat based 1DGC and comprehensive 2DGC (GCxGC) data visualization and processing software. GCxGC-MS data analysis is supported for Agilent GCMS data format. The first goal of this project is to provide a highly intelligent analytical tool for reducing a complex chromatographic data analysis, either 1D or 2D, to just a few simple and intuitive steps. The second goal is to provide a fast and practical way of customizing or extending functionalities... -
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...EigenMS eliminates effects from known and unknown factors and can be utilized for any -omic platform. We have shown its utility in LC-MS/MS and metabolomics in the following two papers: 1) PMID: 19602524. "Normalization of peak intensities in bottom-up MS-based proteomics using singular value decomposition". Karpievitch YV, Taverner T, Adkins JN, Callister SJ, Anderson GA, Smith RD, Dabney AR. Bioinformatics 2009 2) "Metabolomics data normalization with EigenMS" Karpievitch YV, Nikolic SB, Wilson R, Sharman JE, Edwards LM. PLoS One 2014
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datasw
datasw, a tool for rapid processing of HPLC-SAXS data.
Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS... -
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MOIRAI
Simple Scientific Workflow System for CAGE Analysis
Cap analysis of gene expression (CAGE) is a sequencing based technology to capture the 5’ ends of RNAs in a biological sample. After mapping, a CAGE peak on the genome indicates the position of an active transcriptional start site (TSS) and the number of reads correspond to its expression level. CAGE is prominently used in both the FANTOM and ENCODE project. MOIRAI is a compact yet flexible workflow system designed to carry out the main steps in data processing and analysis of CAGE data. ... -
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ImagingAnalysis
Direct tissue-level image quantification package for Mathematica
ImagingAnalysis is a Mathematica package that performs grid-based analysis of time-lapse imaging data saved in a sequence of TIFF files. This package requires Mathematica 7.0. Revised on 14 May 2017: Bugs are fixed and incompatibility issues are resolved. The current version runs on Mathematica 11. -
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The Maltcms - Modular Application Toolkit for Chromatography Mass-Spectrometry is a JAVA API for preprocessing, alignment, analysis and visualization of data stored in open file formats used in Proteomics and Metabolomics research.
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ChelomEx
Isotope assisted discovery of metal chelating agents from LC-MS data
ChelomEx identifies chromatographic features of metal complexes and associated free ligands or other related adducts in high-resolution LC-MS data. A built-in graphical user interface and compound library aid in the efficient evaluation of the results. If you use ChelomEx for your research, please cite our Analytical Chemistry paper that describes the software (http://dx.doi.org/10.1021/ac503000e). To comment, send bug reports or suggestions for additional features to be implemented... -
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iMet-Q (intelligent Metabolomic Quantitation) is an automated tool with friendly user interfaces for quantifying metabolites in full-scan liquid chromatography-mass spectrometry (LC-MS) data. It has a complete quantitation procedure for noise removal, peak detection and peak alignment. In addition to accurate quantitation, iMet-Q provides the charge states and isotope ratios of detected compounds. It accepts input data in netCDF, mzXML, and mzML format and exports quantitation results in csv and txt format. The software source code is freely available under the license of GPL2.
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QuickNXS
Polarized ToF reflectivity raw data analysis tool
Data evaluation tool for the magnetism reflectometer at the spallation neutron source (BL-4A@SNS). Reads raw nexus files (HDF5) of histogrammed or event mode data to create reflectivity curves and 2D Q-maps. -
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EXIMS
EXploring Imaging Mass Spectrometry data
EXIMS: an improved data analysis pipeline based on a new peak picking method for EXploring Imaging Mass Spectrometry data.
