A sample is used as an input for an analytical experiment, performed by running an analytical instrument. This gives the analysis results. Raw data file Uniform resource locator of the file. Was the parent file a native acquisition file? Or was it processed data? A GCMS peak list produced as an output of a GCMS run (corresponds to a minimal common output set for all GCMS instruments). There will be a gcmsPeakList element for each sample analysed on a GCMS instrument. A GCMS peak as part of a GCMS peak list. There will be a gcmsPeak element for each peak in a GCMS peak list. The absolute retention time for the peak in seconds. The relative retention time for the peak in seconds. The lower bound of the retention time window in which the peak falls. The upper bound of the retention time window in which the peak falls. A retention time index for the peak. The absolute area of the peak in ???. The relative area of the peak in ???. The calibration/analyte name used for the quantification for this peak The name assigned to a peak. It can come from the library search, the quantification, auto naming from the software, or from the operator The category the sample is in The mass value chosen by the instrument as the best peak based on purity calculations for the peak The concentration calculated for the corresponding analyte using the indicated calibration A numerical description [0..999] of the match between the analyte and the referent mass spectrum. The higher the number, the better the match The m/z value used for quantification The peak height of the quantified mass divided by the calculated noise Indicator of manual modification of the analyte's baseline If the peak is saturated, this is the location of the closest point to the apex that is not saturated Baseline corrected peak height of the unique mass divided by the noise The variation of the signal as calculated from the analyte peaks A unitless value that helps to describe how much unique_mass coelutes with other compounds The library hit(s) names found for the peak Synonym names for the compound corresponding to the best hit A numerical description [0..999] (defined by the NIST search algorithm) of how well the library hit matches the peak using all masses. The higher the value the better the fit A value [0..999] defined by the NIST search algorithm describing how well the library hit matched the peak using only the masses present in the NIST DB mass spectrum. The higher the value the better the fit An estimation of the likelihood that a matching compound has been found The CAS (Chemical Abstracts Service) registry number The name of the library used to identify the analyte The NIST identification number of the matching compound for the selected hit The chemical formula of the identified analyte based on the library search (hit) The molecular weight of the matching compound The library contributor of the matching compound The number of the selected hit The distance between horizontal lines passing through the maximum and baseline of the peak ratio = As / Ais, where As = the response (are/height) of the analyte to be measured, Ais = the response of the internal standard The measure of the mass spectral response of the analyte's wrt its concentration: RF = AS x Cis / (Ais x Cs), where As = the response (are/height) of the analyte being measured, Cis = the concentration of the internal standard, Ais = the response of the internal standard, Cs = the concentration of the analyte being measured The retention time at which peak integration started The number of the scan at which peak integration started The retention time at which peak integration ended The number of the scan at which peak integration ended The concentration multiplied by the conversion factor from the calibration Definition of what makes the peak a problem (II = isomer interference, SM = saturated mass, QM = low quantification mass match, LM = low library much) The name given for that quantification of the peak. The user-given name for the compound Isotope masses entered in the calibration table The ratio between the expected isotope ratio and the calculated isotope ratio Displays if the isotope ratio passed or failed according to the parameters set in isotope ratio tolerance in the calibration table The calibration name used for the quantification of the peak The number of spectrum wide that the peak is at approximately half the height of the peak The amount of analyte in the sample before any dilution Additional information supplied for a GCMS peak produced by an Agilent instrument. The mass-to-charge value chosen by the instrument as the best peak based on purity calculations for the peak. The number of the scan at which peak integration started. The scan number at the apex of the peak. The derivatives of the peak compound. The relative intensity of the unique ion excluding system peaks in the calculation. An FT-IR spectrum produced as an output of an FT-IR run (corresponds to a minimal common output set for all FT-IR instruments). There will be an ftirSpectrum element for each spectrum in a sample analysed on an FT-IR instrument. An FT-IR peak as part of a FT-IR spectrum. There will be an ftirPoint element for each peak in an FTIR spectrum. A Raman spectrum produced as an output of a Raman run (corresponds to a minimal common output set for all Raman instruments). There will be a RamanSpectrum element for each spectrum in a sample analysed on a Raman instrument. An Raman peak as part of a Raman spectrum. There will be a ramanPeak element for each peak in a Raman spectrum. An ID for analytical results and a reference to an analytical experiment used to perform produce them A reference to the sample analysed A mass spectrum produced by a MS instrument (e.g. DIMS, GCMS). The level of the mass spectrum for tandem MS. A mass peak produced as part of a mass spectrum. A mass-to-charge value. The absolute intensity registered for the given mass-to-charge value. The intensity relative to the total ion current (TIC). The intensity relative to the maximal peak height. Tandem mass spectrum.