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  2. List of mass spectrometry software - Wikipedia

    en.wikipedia.org/wiki/List_of_mass_spectrometry...

    ProbID is a software tool designed to identify peptides from tandem mass spectra using a protein sequence database. It was developed at the Bioinformatics Group, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China.

  3. Mass spectrometry data format - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrometry_data_format

    Mass spectrometry is a scientific technique for measuring the mass-to-charge ratio of ions. It is often coupled to chromatographic techniques such as gas-or liquid chromatography and has found widespread adoption in the fields of analytical chemistry and biochemistry where it can be used to identify and characterize small molecules and proteins ().

  4. SIRIUS (software) - Wikipedia

    en.wikipedia.org/wiki/SIRIUS_(software)

    SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra. SIRIUS is the umbrella application comprising CSI:FingerID ...

  5. Nuclear magnetic resonance spectra database - Wikipedia

    en.wikipedia.org/wiki/Nuclear_magnetic_resonance...

    The software includes PDF report generation, spectrum prediction (database-trained and/or algorithm based), structure drawing, structure search, spectrum search, text field search, and more. Access to the databases is available to subscribers either as NMR only or combined with mass spectrometry and FT-IR data.

  6. Browse Speed & Security Utilities - AOL

    www.aol.com/products/utilities

    Get the tools you need to help boost internet speed, send email safely and security from any device, find lost computer files and folders and monitor your credit.

  7. SPC file format - Wikipedia

    en.wikipedia.org/wiki/SPC_file_format

    The SPC file format is a file format in which all kinds of spectroscopic data, including among others infrared spectra, Raman spectra and UV/VIS spectra. The format can be regarded as a database with records of variable length and each record stores a different kind of data (instrumental information, information on one spectrum of a dataset ...

  8. List of molecular graphics systems - Wikipedia

    en.wikipedia.org/wiki/List_of_molecular_graphics...

    Includes single/multiple sequence viewer, structure-based sequence alignment, automatic sequence-structure crosstalk for integrated analyses. [29] VMD: EM MD MM: Free open-source for noncommercial use [30] C++ [31] [32] [self-published source?] WHAT IF: HM XRD: Proprietary, shareware for academics Fortran, C, OpenGL, standalone [33] [self ...

  9. Raman Tool Set - Wikipedia

    en.wikipedia.org/wiki/Raman_Tool_Set

    Raman Tool Set is a free software package for processing and analysis of Raman spectroscopy datasets. It has been developed mainly aiming to Raman spectra analysis, but since it works with 2-columns datafiles (Intensity vs Frequency) it can deal with the results of many spectroscopy techniques.

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