A computer implemented method for automatic peak integration of at least one chromatogram of at least one sample. The method comprises retrieving at least one chromatogram of the chemical related substance and at least one chromatogram of the analyte; evaluating the chromatogram of the chemical related substance, wherein the evaluating comprises determining at least one initial value for analyte retention time by determining retention time of the chemical related substance and adding the retention time of the chemical related substance with a pre-determined or pre-defined constant offset and/or multiplying the retention time of the chemical related substance with a pre-determined or pre-defined constant factor; evaluating the chromatogram of the analyte, wherein the evaluating comprises at least one position determining step; and at least one peak integration step, wherein analyte peak area and analyte peak shape are determined by applying at least one fitting analysis to the chromatogram of the analyte.

A sample measurement device (100) includes a measurement unit (10) configured to measure a sample containing a plurality of components according to a measurement condition (30) including a plurality of parameters (31), and a data processing unit (20) configured to acquire measurement data, and the data processing unit is configured to acquire a distribution (43) of a measurement quality indicator (42) according to the measurement condition based on the measurement data (40), and identify a peak (41) of each of the components in the measurement data based on the distribution of the measurement quality indicator and the parameters used when the sample is measured.

A method of mass spectrometry for analyzing a sample within a mass range of interest includes the steps: ionizing the sample to produce a plurality of precursor ions; performing an MS1 scan of the precursor ions comprising mass analyzing the precursor ions across the mass range of interest, to obtain an MS1 mass spectrum of the precursor ions; determining ion intensity values within the MS1 mass spectrum; selecting precursor mass segments within the mass range of interest, and for each precursor mass segment: fragmenting the precursor ions within that precursor mass segment; and performing an MS2 scan of the fragmented ions by: controlling an amount of fragmented ions for that precursor mass segment, based on an intensity value for that precursor mass segment derived from the MS1 spectrum; and mass analyzing the amount of fragmented ions.

The present disclosure generally pertains to methods of identifying and quantitating host cell proteins (HCPs) in therapeutic protein development. In particular, the present invention generally pertains to methods of liquid chromatography-tandem mass spectrometry (LC-MS/MS) for unbiased identification and sensitive quantitation of HCPs in therapeutic protein development.

In a chromatograph mass spectrometer having a measurement unit (1) including a chromatograph is combined with a tandem mass spectrometry section capable of an MS/MS analysis, a controller (40) performs chromatograph mass spectrometry by controlling the measurement unit so as to operate the tandem mass spectrometry section to cyclically perform analysis cycles, where each of the analysis cycles includes a first mass spectrometric analysis in which a measurement of ions is performed over a predetermined m/z range and an MS/MS analysis by DIA in which ions included within each of a plurality of windows formed by dividing the m/z range are designated as a precursor ion. A window selector (42, 43) selects, during an execution of an analysis cycle, a window among the plurality of windows for an MS/MS analysis by DDA which is irregularly performed in an ongoing analysis cycle, based on intensity information obtained for each of the plurality of windows from an MS/MS spectrum acquired by the MS/MS analysis by DIA. A precursor-ion determiner (44) determines a precursor ion corresponding to the window selected by the window selector in a mass spectrum acquired by the first mass spectrometric analysis in the ongoing analysis cycle, based on peak information included within the m/z range of the window. A data-dependent-acquisition condition setter (45) informs the controller of the precursor ion determined by the precursor-ion determiner, as the precursor ion for the MS/MS analysis by DDA which is irregularly performed in the ongoing analysis cycle.

In a multi-analyte multi-component analysis, multiple kinds of numerical information are obtained for each sample as measurement and data-analysis results for multiple compounds. A threshold-based flag condition is set for each of two or more kinds of numerical information according to user operations. Multiple categories, each having a determination condition including the combination of the presence/absence of the flags corresponding to the two or more kinds of numerical information, are set according to user operations. For each sample-compound combination, each kind of numerical information is tested as to whether it satisfies the flag condition, and is flagged if it satisfies the condition. Each sample-compound combination is tested as to the presence/absence of the flags according to the determination condition of each category, to identify combinations belonging to any category. The identified combinations are displayed, with each combination related to the corresponding category or each category visually distinguished from the other.

In a chromatographic analyzer which performs a measurement on multiple compounds for each of the multiple samples, a data-analysis processor calculates, for each sample, multiple pieces of numerical information obtained by data analysis on multiple compounds, based on measurement data. A table creator creates a two-dimensional table by arranging sample identifier in one direction of the table and compound identifier in the other direction, and assigning numerical information obtained for a combination of one sample and one compound to a cell of the table corresponding to the combination. A cell selection receiver displays the table on a display screen and receives a selection of a cell or cells according to a user operation on the displayed table. A selected information outputter outputs or displays the numerical information in the selected cell(s) in a predetermined format along with the sample and compound identifiers corresponding to the cell(s).

In a preparative liquid chromatograph, a control device for controlling at least operation of a sample injection part includes a holding part for holding a chromatogram-for-setting created in advance for a sample to be analyzed, and an injection program creating part configured to create an injection program that defines timings at which injection operations are executed based on the chromatogram-for-setting, so that, in the case where the number of injections in a multiple injection mode is set, a peak of a chromatogram of the sample to be analyzed injected in each injection operation does not overlap a peak of a chromatogram of the sample to be analyzed injected in another injection operation.

A liquid chromatograph including a spectroscopic analysis unit (40) that performs spectroscopic analysis by irradiating a flow cell (90) through which an eluent eluted from a column (31) flows with light is provided with a cell information reading unit (49) that is provided in the spectroscopic analysis unit and accesses a storage device (91) attached to the flow cell to acquire cell information that is information unique to a type or an individual of the flow cell; a wavelength check control unit (51) that causes the spectroscopic analysis unit to execute wavelength check; a wavelength check information storage unit (53) in which a result of the wavelength check is stored in association with the cell information acquired at a time of executing the wavelength check; and a system check report creation unit (74) that creates a system check report in which the result of the wavelength check and the cell information acquired at the time of executing the wavelength check are described by referring to the wavelength check information storage unit. This makes it possible to sufficiently secure the reliability of the analysis result.

A waveform processing assistance device includes an acquirer that acquires a correspondence relationship between a plurality of values of a waveform processing parameter and a plurality of results of waveform processing as a plurality of peak separation information pieces in regard to a plurality of peaks that are separated from one or a plurality of waveform data pieces based on the plurality of values of the waveform processing parameter, a determiner that determines robustness of each value of the waveform processing parameter based on a plurality of peak separation information pieces acquired by the acquirer, and a display controller that causes the display to display a plurality of peak separation information pieces acquired by the acquirer and a robustness information piece representing robustness of each value of the waveform processing parameter that is calculated by the determiner.