17 Matching Annotations
  1. Feb 2017
    1. NIST Atomic Spectra Database - http://www.nist.gov/pml/data/asd.cfm NIST Molecular Spectra Databases - http://www.nist.gov/pml/data/molspec.cfm NMR Shift DB - http://nmrshiftdb.nmr.uni-koeln.de/ Human Metabolome Database - http://www.hmdb.ca EPA Emissions Measurement Center Spectral Database -http://www3.epa.gov/ttn/emc/ftir/index.html MassBank - http://www.massbank.jp/ Romanian Database of Raman Spectroscopy - http://rdrs.uaic.ro/index.html

      Its seems just a matter of time before all of the online sources for spectra offer APIs, possibly including predictive spectra. I wonder how much of a load these types of things put on a server to request.

    2. This capability was added in order that spectral files were not to large for the storage media available (see above).

      Although compression is nice for saving space, would the compression limit the ability to search spectral databases if reading compressed files makes things more complicated. when a lot of files need to be accessed in a single search, such as through an API or user interface search i would think this may take longer.

    3. lthough JCAMP-DX has not formally been standardized, it is currently the de facto standard for sharing spectral data and all the major databases store their data in the format.

      How & WHY did the JCMAP format become the de facto standard even though it was not formally standardized?

    4. websites where you can obtain reliable spectral data, and software for viewing/simulating spectra.

      Is there any free software or website in which we can analyze SEM, TEM images and TGA spectra?

    5. #YFACTOR=  9.5367E-7 … ##XYDATA= (X++(Y..Y))  4400   68068800 68092800 68145600 68100800 68140800 68232000  4394   68304000 68316800 68195200 68152000 68182400 68176000  4388   68240000 68252800 68156800 68156800 68236800 68292800  4382   68302400 68265600 68233600 68214400 68224000 68284800  4376   68353600 68334400 68219200 68230400 68315200 68276800  4370   68259200 68264000 68257600 68316800 68292800 68339200  

      i dont understand the actual meaning of this DATA table and it's format

    1. ANalytical Data Interchange (ANDI)

      Is this type of file recently developed? I have not ever seen this one as the save option in our UALR Agilent GC-MS

    2. <request string="arsinic acid" representation="names">   <data id="1" resolver="name_by_opsin" notation="arsinic acid">     <item id="1" classification="pubchem_iupac_name">arsinic acid</item>     <item id="2" classification="pubchem_substance_synonym">CHEBI:29840</item>     <item id="3" classification="pubchem_substance_synonym">HAsH2O2</item>     <item id="4" classification="pubchem_substance_synonym">[AsH2O(OH)]</item>     <item id="5" classification="pubchem_substance_synonym">arsinic acid</item>     <item id="6" classification="pubchem_substance_synonym">dihydridohydroxidooxidoarsenic</item>   </data> </request>

      How can you pull this string of data? is it from inspection option on the browser? what type of file is this?

    3. chemical metadata (information about chemicals – not chemical data like melting points etc.)

      I need more to clarification about chemical metadata. Like what is it represent if it's not like melting point??

    4. instrument data and metadata

      please, can someone tell me the difference between instrument data and metadata.

    5. It was recognized in 2004 that there needed to be a successor to JCAMP-DX because of i) advances in technology, ii) a recognized need to represent data from all analytical techniques, and iii) issues with variants of JCAMP-DX that made interoperability of the files difficult.  AnIML files consist of up to four data sections; SampleSet, ExperimentStepSet, AuditTrailEntrySet, and SignatureSet.  By design very little data/metadata is required so that legacy data, which may not have much or any metadata to describe it, can be stored in the AnIML format. An example ‘minimum’ AnIML file is shown below:

      What are the major differences between JCAMP-DX and its successor AnIML, and how have the problems with JCAMP-DX been corrected with AnIML?

    6. This is for mass spectrometry and chromatography data

      For representing and managing Digital Spectra, is ANDI only use for mass spectrometry and chromatography data?

    1. Mass Spectrum

      I did not find mass spectrum of benzene in massbank? So can tell me how to find it?

    1. Safe Drinking Water Act: Consumer Confidence Reports

      How can we get any data from this link?

    1. Macintosh Viewer last updated on: Monday, 13-Feb-2017 09:43:00 CST; size: 8.3M bytes Download the Macintosh Jcamp Viewer. Windows viewer last updated on: Monday, 13-Feb-2017 09:43:25 CST; size: 4.1M bytes Download the Windows Jcamp Viewer. Linux viewer last updated on: Wednesday, 02-Mar-2016 13:05:33 CST; size: 12M bytes Download the Linux Jcamp Viewer. This version of the viewer has the capability to directly download and process raw FID data files from the UWSP data server. Some very brief documentation on the data processing capabilities is available here. JCAMP-DX spectral files are best displayed using the JCAMP viewer as the Chime plugin(Windows only) seems unable to display spectra with a large number of data points in an AFFN JCAMP data file.

      Is there any other way to see JCAMP data files without having to download any of this?

    1. JCAMP-DX format

      If this format is out of date, why is it still used as often as it is?

    1. Peak Search

      Depending on the data, doesn't new software or programs affect how we can transfer information into mass bank for peak search?