Abstract: An ion optical arrangement (1) for use in a mass spectrometer comprises a collision cell defining an ion optical axis along which ions may pass, electrodes comprising a set of parallel poles (11A, 11B, 11C) arranged in the collision cell, and a voltage source for providing voltages to the electrodes to produce electric fields. The ion optical arrangement is arranged for switching between a first operation mode in which the collision cell is pressurized and a second operation mode in which the collision cell is substantially evacuated. The ion optical arrangement is further arranged for producing a radio frequency electric focusing field in the first operation mode and a static electric focusing field in the second operation mode.

Abstract: Ions are separated according to their mass-to-charge ratios. A separation region receives the ions, extending in a first direction and a second direction that is different to the first direction. An electrode arrangement confines the ions in the separation region. The electrode arrangement is configured to apply a time-varying potential in the separation region to cause the ions to move in the first direction and configured to apply a potential gradient in the separation region, the potential gradient opposing the time-10 varying potential, such that the ions are separated at different positions in the first direction according to the mass-to-charge ratios of the ions. A force is applied in the second direction to the ions to cause the ions to move in the second direction.

Abstract: A method of operating a sample introduction system of an inductively coupled plasma analytical instrument, the method comprising applying a trained classifier to instrument data, obtained from the analytical instrument, during operation of the analytical instrument, to detect whether the sample introduction system is operating in a normal state or in a failure state. The method further comprises activating an error procedure in the event that the sample introduction system is operating in a failure state. The instrument data comprises signal data obtained from an analytical measurement made by the analytical instrument. The trained classifier is trained using a training data set comprising instrument data corresponding to the normal state of the sample introduction system.

Abstract: A method of calibrating a mass spectrometer is disclosed, the mass spectrometer comprising at least one ion detector of a first type having a first ion intensity measurement range (IDR1) and at least one ion detector of a second type having a second ion intensity measurement range (IDR2). The first ion intensity measurement range and the second ion intensity measurement range share an overlap range (IDR0). The method may comprise: —detecting a wash period (WP), —measuring, during and/or following a wash period, an ion intensity using both at least one ion detector of a first type and at least one ion detector of a second type to produce a first measured ion intensity and a second measured ion intensity respectively, and —using the first measured ion intensity and a second measured ion intensity to determine a detector calibration factor.

Abstract: Methods comprise introducing a gas sample having an ionisation potential below a first electron energy and above a second electron energy into an ion source and operating the ion source in the ON mode; measuring a signal produced by ionisation of the gas sample during a first time period; operating the ion source in the OFF mode during a second time period; determining, based on the signal measured during the first time period, an expected signal for ionisation of the gas sample during a third time period; operating the ion source in the ON mode and measuring a signal produced by ionisation of the gas sample during the third time period; calculating a deviation between the measured signal for the third time period and the expected signal for the third time period; and based on the deviation, adjusting one or more of the second set of operational parameters.

Abstract: A multi-reflection time of flight mass spectrometer comprises a mass analyser with opposing mirror electrodes and a focal plane correction electrode. Each mirror electrode is elongated generally along a drift direction. The focal plane correction electrode extends along at least a portion of the drift direction in or adjacent the space between the mirror electrodes. Ions are injected into the mirror electrodes and an electrical potential provided to the mirror electrodes reflects the ions in the resulting ion beam and causes the ions to follow a zig zag path as they drift along the mirror electrodes. An electrical potential is also provided to the focal plane correction electrode to set the focal plane position of the ion beam to coincide with a detector surface of an ion detector placed at the end of the ions' path.

Abstract: An analytical instrument comprises an ion mobility separator, a mass filter downstream of the ion mobility separator, and a mass analyser downstream of the mass filter. The ion mobility separator performs ion mobility separation scans to separate ions according to ion mobility. The mass filter filters the separated ions using an isolation window, and during each scan: (i) scanning a centre mass to charge ratio (m/z) of the isolation window, and (ii) controlling a width ?mz of the isolation window such that ions emerging from the ion mobility separator within an ion mobility arrival time range ?T are transmitted by the mass filter. The mass analyser performs mass analysis scan(s) during each ion mobility separation scan in which the mass analyser analyses ions transmitted by or derived from ions transmitted by the mass filter, each mass analysis scan having a duration T, and wherein ?T<T.

Abstract: A method and device for determining an average frequency of a series of ion detection pulses (P) in a spectrometer can be applied to a measurement interval (MI). The method may comprise determining the duration of an auxiliary interval (AI1, AI2, . . . ), wherein the auxiliary interval overlaps the measurement interval, the auxiliary interval starts at the last pulse (P0) preceding the measurement interval (MI), and the auxiliary interval ends at the last pulse (PN) within the measurement interval. The method may further comprise determining the number of pulses during the auxiliary interval and dividing the number of pulses by the duration of the auxiliary interval so as to produce the average frequency. The method may be applied to a series of ion pulses produced by a voltage-to-frequency converter connected to a Faraday cup.

Abstract: A peak position measurement offset is determined in a two-dimensional optical spectrum. A plurality of peaks are identified that appear in both a spectrum obtained from a reference material at known conditions and a spectrum obtained from a sample of interest. The peak position measurement offset is determined by a comparison of a pattern formed by peak positions of the plurality of identified peaks in the spectrum obtained from the sample of interest against the plurality of identified peaks in the spectrum obtained from the reference material.

Abstract: A method of preparing a liquid protein sample for proteome analysis is provided. The method comprises pumping a liquid protein sample into a heated tubing, wherein the liquid protein sample comprises a plurality of portions; incubating the liquid protein sample in the heated tubing, wherein an incubation condition for a first portion of the sample is different to an incubation condition for a second portion of the sample; and pumping the liquid protein sample out of the heated tubing.

Abstract: A dual analyser mass spectrometer obtains MS1/MS2 scans of positive and negative ions by: operating an ion source and processing region at a first polarity; performing, by a first mass analyser (FMA) at the first polarity, MS1 or MS2 scan(s); switching polarity of the FMA to a second polarity; performing, by a second mass analyser (SMA) at the first polarity, MS1 or MS2 scan(s), wherein at least part of the MS1 or MS2 scan(s) performed by the SMA is performed while the FMA is switching polarity. Alternatively, the FMA may be operated at a first polarity and the SMA at a second polarity opposite to the first, and after initiating at least one MS1 scan and/or MS2 scan by the FMA, switching the polarity of the source and ion processing region to a second polarity and performing at least one MS1 scan and/or MS2 scan with the SMA.

Abstract: A method of operating a spectrometer controller is provided. The method comprises obtaining an interfered peak using a detector of a spectrometer, wherein the interfered peak is produced by a plurality of spectral emissions of different wavelengths, each of the plurality of spectral emissions in the interfered peak incident on the detector at an associated detector location. For one or more of the spectral emissions of the interfered peak, an associated curve is generated using a neural network, wherein the neural network is trained to output data indicative of a shape of the associated curve based on data representative of the associated detector location. For one or more of the spectral emissions of the interfered peak, the associated curve is output.

Abstract: There is provided a method of identifying spurious peaks in a mass spectrum produced from a time-varying transient signal detected in a mass spectrometer. The method comprises the steps of generating, using a regularized inversion algorithm having one or more adjustable parameters, a first mass spectrum from the time-varying transient signal, according to a first set of values of said one or more adjustable parameters. Generating, using the regularized inversion algorithm, one or more perturbed mass spectra from the transient signal, according to one or more respective perturbed versions of the first set of values. Identifying one or more spurious peaks in the first mass spectrum by comparing the first mass spectrum with at least one of the perturbed mass spectra. There are also provided corresponding systems and computer readable media.

Abstract: A method of processing mass spectral data is provided. The mass spectral data includes a plurality of MS1 mass spectra and a plurality of MSN mass spectra each having a respective associated retention time. A group of features is detected in the plurality of MS1 mass spectra, each feature of the group having a respective mass, and the features of the group having corresponding retention times. The method includes, for each of one or more features of the group: submitting a corresponding MSN mass spectrum to a mass spectral search engine in order to obtain an identification result for that feature, and determining a candidate ion type for the feature based on a mass difference between the mass associated with the feature and an expected mass from the identification result. The method also includes identifying one or more compounds based on the group of features and the candidate ion type(s).

Abstract: An ion guide may comprise a set of plate electrodes, each plate electrode having a plurality of apertures formed therethrough. The set of plate electrodes are spatially arranged such that a relative positioning of each plurality of apertures of a respective plate electrode of the set of plate electrodes and respective adjacent plate electrodes of the set of plate electrodes defines a continuous ion flight path through the respective plurality of apertures of each plate electrode of the set of plate electrodes. The continuous ion flight path has a helical-based and/or spiral-based shape.

Abstract: A sample is separated by a first separator into constituent analytes over a time parameter. The constituent analytes are analysed by a mass spectrometer, which provides intensity measurements against mass-to-charge ratio for each constituent analyte. A relationship of the measured intensity at a mass-to-charge ratio over the time parameter for each constituent analyte defines a respective peak. A peak quality factor may be determined for each of the peaks and/or a common peak position in respect of the time parameter may be determined for at least some of the peaks. A specific range for a time parameter to be used for quantifying the substance may be based on the peak quality factor (or factors). Alternatively, a subset of the peaks may be selected for quantification of the substance, based on the determined peak quality factors and/or the determined common peak position.

Abstract: An electron impact ion source comprises: a first ionisation region comprising an aperture configured to receive first molecules into the first ionisation region, the first ionisation region being configured to receive an electron beam along a first axis to generate a first ion beam along the first axis from the first molecules; and a second, separate ionisation region comprising an inlet configured to receive second molecules into the second ionisation region, the second ionisation region configured to receive the electron beam along the first axis to generate a second ion beam along the first axis from the second molecules.

Abstract: A method of determining a peak intensity in an optical spectrum is described. The method includes producing a two-dimensional array of spectrum values by imaging the optical spectrum onto a detector array. An offset using an actual location and an expected location of a peak of an interpolated subarray is used to adjust an expected location of another peak that is within another two-dimensional subarray. Interpolated spectrum values are then used to produce a peak intensity value of the second peak.

Abstract: A first analytical instrument is configured to be controlled according to one or more first operating parameters; and controlling the configured first analytical instrument based on an estimated ion current obtained by: selecting at least one signal from stored data comprising a plurality of signals and a respective one or more second operating parameters associated with each of the plurality of signals, wherein each signal of the plurality of signals is representative of an ion current obtained using the first analytical instrument configured according to the respective associated one or more second operating parameters or using a second analytical instrument configured according to the respective associated one or more second operating parameters, and wherein the at least one signal is selected based on the one or more first operating parameters; and using the at least one selected signal to estimate the ion current.

Abstract: A gas transfer system for transferring gas into an analytical instrument for isotope ratio analysis comprises a capillary for delivering sample and/or reference gas from a gas source, a first connector for connecting the capillary to the gas source, a second connector for connecting the capillary to the analytical instrument, a crimping device, wherein the internal surface of the capillary comprises a coating material to prevent or minimize adsorption of water to the surface. Also provided is a device for regulating gas flow in a gas inlet system of an analytical instrument, comprising a body member having an internal gas flow channel, and a clamping member for attachment to the body member such that when the clamping member is tightened onto the body member, the internal gas flow channel is adjustably and reversibly crimped, to adjust gas flow therethrough.