Showing 12 open source projects for "data quality cleansing"

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  • 1
    harwellxps-armoury-for-casaxps

    harwellxps-armoury-for-casaxps

    Plugin host for CasaXPS XPS analysis, from the UK national XPS service

    HarwellXPS Armoury is a free plugin host for CasaXPS, built by HarwellXPS, the UK's national XPS facility at the Research Complex at Harwell. It runs alongside CasaXPS and adds tools for everyday XPS work. The public release includes: - XPS Import: bring instrument files into CasaXPS and assign spectra to samples and experiments - Plotter: quick, publication-ready plots of your spectra - Lineshape Tester: check how a lineshape behaves before using it in a fit Further plugins are...
    Downloads: 56 This Week
    Last Update:
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  • 2
    KherveSheet

    KherveSheet

    Excel for scientists: high-quality plots, Python in cells, AI side bar

    KherveSheet is a desktop spreadsheet application for scientists, built in Python and running on Windows. Plotting Charts are generated using matplotlib and embedded directly in the sheet as movable, resizable objects. You have full control over axes, scales, ticks, titles and grids. Curve fitting and peak fitting are supported, with goodness-of-fit reporting overlaid on the plot. Every cell can also run a full Python program, not just a formula. An integrated AI assistant can generate...
    Downloads: 0 This Week
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  • 3
    Charmol

    Charmol

    Program for molecular graphics

    Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) -...
    Downloads: 0 This Week
    Last Update:
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  • 4
    Aestel

    Aestel

    Applications for data management

    "Information is data in action", and, consequently, having good quality data is essential. The AESTEL package contains two highly configurable applications for data management: A data loader and a reporting application, i.e. DataLoader and AEREA, respectively. The data loader application applies user-defined instructions to validate, process and load data.
    Downloads: 0 This Week
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  • 5
    MatNMR is a highly flexible toolbox for processing 1D and 2D NMR/EPR spectra in MATLAB and creating high-quality 1D, 2D or 3D plots. Fully GUI and/or script-based.
    Downloads: 0 This Week
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  • 6
    chemfiles

    chemfiles

    Modern library for chemistry file reading and writing

    Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system.
    Downloads: 0 This Week
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  • 7

    Science & Engineering Inventory

    Rediscover the Simplicity http://www.atgclabs.com/

    Request new Lab Inventory feature or module and receive a free Single User version with new feature. Help us to improve Lab Inventory. We want to hear your feedback! https://www.atgclabs.com/products/li The Lab Inventory System is an innovative, easy to learn full-featured solution for research laboratories. You can quickly and easily upload your existing Excel based inventory and get started in minutes, manage laboratory inventory, place orders and keep track of them in one...
    Downloads: 0 This Week
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  • 8
    Chemitorium
    Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
    Downloads: 0 This Week
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  • 9
    Fitta is a program for making and plotting statistical fits, simple and weighted fit, high quality plots thanks to the matplotlib library
    Downloads: 0 This Week
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  • 10
    EXTREMA is an interactive program with publication quality graphics and mathematical analysis capabilities. EXTREMA can be GUI and/or command driven. The command language includes conditional branching, looping and subroutine calling constructs.
    Downloads: 0 This Week
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  • 11
    EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use.
    Downloads: 1 This Week
    Last Update:
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  • 12
    nmrproc shall be an NMR (nuclear magnetic resonance) data processing application supporting many file formats, a highly intuitive hence easy-to-use interface for routine NMR spectrum processing and generation of publication quality spectra.
    Downloads: 0 This Week
    Last Update:
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