Technique Definition for Chromatography (A physical method of separation in which the components to be separated are distributed between two phases, one of which is stationary (stationary phase) while the other (the mobile phase) moves in a definite direction. 1993, 65, 823; O.B. 92; 1990, 62, 2179; see IUPAC gold book) The actual measurement sample Parameters describing the measurement sample Mass on column from ASTM E 1947-98. kg kg Parameters describing a substance in the measurement sample Mass on column from ASTM E 1947-98. kg kg Solvent(s) used Additive(s) used A "normal" full chromatogram (A graphical or other presentation of detector response, concentration of analyte in the effluent or other quantity used as a measure of effluent concentration versus effluent volume or time. In planar chromatography ‘chromatogram’ may refer to the paper or layer with the separated zones. 1993, 65, 823; 1990, 62, 2179; see IUPAC gold book) This is a set of values of dimension @length, containing the abscissa value for each raw data ordinate value. This set of values has a unit of retention unit. See: ASTM E 1947-98. s s Channel number axis. See: Applied Spectroscopy 48, 12, 1994, 1445-1552. This is a set of values of dimension @length, containing the ordinate values. This set of values has a unit of detector-unit. This is a required field for datasets containing raw data. See: ASTM E 1947-98. 1 1 1 A A kg m s A kg m s A Parameters defining the measurement A simplified generalized description of the chromatography experiment. See: J. Hau, P. Lampen, R.J. Lancashire, R.S. McDonald, P.S. McIntyre, D.N. Rutledge, W. Schrader, A.N. Davies, JCAMP-DX V.6.00 for LC/MS (IUPAC Technical Note 2004) Draft Manuscript for Pure Appl. Chem. Affinity Anion Exchange Capillary Electrophoresis Capillary Electrochromatography Capillary Zone Electrophoresis Cation Exchange Displacement Enzymophoresis Ion Exclusion Isotachophoresis Normal Phase Reversed Phase Size Exclusion Supercritical Fluid Thin Layer Gas-Solid Gas-Liquid Ion Pair Field Flow Fractionation UPLC Voilume of sample injected. See ASTM E 1947-98. m Date-time-stamp indicating the absolute time of sample injection relative to Greenwich Mean Time, given in the form of XML dateTime. See: ASTM E 2077-00. actual-delay-time—The time delay between the injection and the start of data acquisition, given in the retention-unit. See: ASTM E 1947-98. s Equilibration time of the column (The operation by which a system of two or more phases is brought to a condition where further changes with time do not occur. 1993, 65, 2377, see IUPAC Orange Book) s Delay time of ADC (There can be small delays within an analog to digital converter so that not all chromatographic traces start at precisely the same time.) Mark F. Bean, personal communication s Chromatographic offsets are applied post-acquisition to allow traces to be lined up in a viewer. Mark F. Bean, personal communication s The actual run time length from start to finish for this raw data array, given in the retention-unit. See: ASTM E 1947-98. s The actual sampling interval used for this run, given in the unit of the retention-unit. At this time, it is for a fixed sampling interval. default unit for the retention axis is time in seconds. See: ASTM E 1947-98. s A chromatogram peak table derived from a chromatogram Peak position value on x axis See Appl. Spectrosc. 42, 1988, 151-162. s s Peak number used to identify a particular peak. See: ASTM E 1947-98. Computed height of the peak; in a scaled data unit. The unit for this is the same as that of the raw-data. See: ASTM E 1947-98. 1 1 1 A A Computed height percent of the peak; the summation of all quantified peaks in an analysis should be equal to 100.0. See: ASTM E 1947-98. The calculated width of the peak, given in a unit of retention-unit. See: ASTM E 1947-98. s s Computed area of the peak. See: ASTM E 1947-98. Compound area percent of the peak: the summation of all quantified peaks in an analysis should be equal 100.0. See: ASTM E 1947-98. Chemical structure assigned to this peak (use Substance ID) (See: J. Hau, P. Lampen, R.J. Lancashire, R.S. McDonald, P.S. McIntyre, D.N. Rutledge, W. Schrader, A.N. Davies, JCAMP-DX V.6.00 for LC/MS (IUPAC Technical Note 2004) Draft Manuscript for Pure Appl. Chem.) The peak asymmetry measured as As= B/A, where A and B are the widths for the front and back parts of a peak, commonly measured at 10 % peak height for USP at 5 %. See: ASTM E 1947-98. Also known as the column theoretical plate number for an individual peak. The peak-efficiency can be expressed as: [(retention-time / width_at_half_height)^2]*5.54 or as [(retention-time / baseline-bandwidth)^2]*16 where baseline-bandwidth is the peak width along the baseline as determined by the intersection points of the tangents drawn to the peak above its points of inflexion. This is usually measured for a reference component, although routinely a representative peak in the chromatogram is chosen and this is reported for it. See: ASTM E 1947-98. Amount of substance that is determined by peak processing. See: ASTM E 1947-98. The transit time from the point of injection to the point of detection, given in the retention-unit. This is used in Capillary Zone Electrophoresis (CZE). See: ASTM E 1947-98. s s The retention index, as defined by Kovats, is a measure of relative retention which uses the normal alkanes as a standard reference. Each normal hydrocarbon is assigned a number equal to its carbon number times one hundred. For example, n-pentane and n-decane are assigned indices of 500 to 1000, respectively. Indices are calculated for all other compounds by logarithmic interpolation of adjusted retention times, as shown in the following equation. Ia 5 100 · N 1 100 · n · ~log tRa – log tRN / log tR~N 1 n! – log tRN! (2) where: Ia = is the retention index of the peak N = is the carbon number of the lower n-alkane n = is the difference in carbon number of the two n-alkanes that bracket the compound tRa = is the adjusted retention time of the unknown compound tRN = is the adjusted retention time of the earlier eluting n-alkane that brackets the unknown tR(N+n) = is the adjusted retention time of the later eluting n-alkane that brackets the unknown See: ASTM E 1947-98. Codes that are used to describe how the baselines have actually been drawn. The peak type may be represented by a two-letter code. The following are examples of peak detection codes: B = baseline peak, that is, the peak begins and/or ends at the baseline. P = perpendicular drop, that is, the peak begins and/or ends with a perpendicular drop. skimmed peak = skimmed peak, that is, the peak is a shoulder peak that is skimmed. VD = vertical drop, that is, the peak begins or ends at a vertical drop to the skim line (such as between two skimmed peaks). HP = horizontal projection, that is, the peak baseline starts and/or ends with a horizontal projection. EX = exponential skim, that is, the peak starts and/or stops with an exponential skim. PT = pretangent skim, that is, the leading edge of the peak is tangent skimmed. MN = manual peak, that is, the user forced the baseline at the data level. FR = forced peak, that is, the user forced the baseline at a user-supplied level. DF = user forced daughter peak, that is, the user forced a baseline on the side of a fused peak (daughter peak). LP = lumped peak, that is, peaks values are lumped (added) together until this timed event is turned off. See: ASTM E 1947-98. See PeakStartDetectionCode. Starting point of the computed baseline for this peak, given in a unit of retention-unit. See: ASTM E 1947-98. s s Ending point of the computed baseline for this peak, given in a unit of retention-unit. See: ASTM E 1947-98. s s Starting value of the computed baseline for this peak; in a scaled data unit, the unit for this is the same as that of the ordinate variable. See: ASTM E 1947-98. 1 1 1 A A Ending value of the compound baseline for this peak; in a scaled data unit, the unit for this is the same as that of the ordinate variable. See: ASTM E 1947-98. 1 1 1 A A A boolean flag that indicates if any reported results are based on manual manipulation of baselines or peak start/end times, or both. A value of logical “O” for this flag indicates that the current peak was not manually reintegrated. See: ASTM E 1947-98. 1 1 1 A A The starting point of the peak, given in a unit of retention-unit. See: ASTM E 1947-98. s s ending point of the peak, given in a unit of retention-unit. See: ASTM E 1947-98. s s See: IUPAC Orange Book 108. Parameters defining the measurement Volume of sample injected. See ASTM E 1947-98. m Date-time-stamp indicating the absolute time of sample injection relative to Greenwich Mean Time, given in the form of XML dateTime. See: ASTM E 2077-00. actual-delay-time—The time delay between the injection and the start of data acquisition, given in the retention-unit. See: ASTM E 1947-98. s Equilibration time of the column (The operation by which a system of two or more phases is brought to a condition where further changes with time do not occur. 1993, 65, 2377, see IUPAC Orange Book) s Delay time of ADC (There can be small delays within an analog to digital converter so that not all chromatographic traces start at precisely the same time.) Mark F. Bean, personal communication s Chromatographic offsets are applied post-acquisition to allow traces to be lined up in a viewer. Mark F. Bean, personal communication s The actual run time length from start to finish for this raw data array, given in the retention-unit. See: ASTM E 1947-98. The actual sampling interval used for this run, given in the unit of the retention-unit. At this time, it is for a fixed sampling interval. default unit for the retention axis is time in seconds. See: ASTM E 1947-98. Name of peak processing method used Date and time when peak processing was done A count of the number of times the data were calibrated before yielding the final results. See: ASTM E 2077-00. A count of the number of times the data were processed to yield the final results recorded in this file. See: ASTM E 2077-00. Name(s) of any program(s) used to process raw data after acquisition. See: ASTM E 2077-00. Name(s) of any program(s) run prior to the start of acquisition. See: ASTM E 2077-00. Parameters describing the instrument Name of the instrument vendor. Name of the instrument model. Name of the detection method actually used. This name is included for archiving and retrieval purposes. See: ASTM E 1947-98.