A method of converting longer path cell signal data to shorter path cell signal data comprising: obtaining a longer path absorbance signal tracing and a shorter path absorbance signal tracing for at least one analyte band under the same conditions; obtaining an approximate superimposable match between the longer path absorbance signal tracing and the shorter path absorbance signal tracing using an amplitude scaling factor and one or more parameters derived from a dispersion model that accounts for dispersion differences between a short cell and a long cell; and applying the dispersion model in reverse using the derived parameters to future longer path absorbance signal traces from the longer path cell signal data to generate the shorter path cell signal data.

Embodiments of the present disclosure are directed to methods and systems for assessing integrity of chromatography columns, systems, and processes. The methods and systems can comprise one or more of extracting a block and signal combination for analysis, performing a transition analysis, performing one or more statistical process controls, and/or implementing in-process controls based on the statistical process controls.

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.

Embodiments of the present disclosure are directed to methods and systems for assessing integrity of chromatography columns, systems, and processes. The methods and systems can comprise one or more of extracting a block and signal combination for analysis, performing a transition analysis, performing one or more statistical process controls, and/or implementing in-process controls based on the statistical process controls.

An example system includes an ion detector and a signal processing apparatus in communication with the ion detector. The ion detector is arranged to detect ions during operation of the system and to generate a signal pulse in response to the detection of an ion. The signal pulse has a peak amplitude related to at least one operational parameter of the system. The signal processing apparatus is configured to analyze signal pulses from the ion detector and determine information about the detected ions during operation of the system based on the signal pulses. The signal processing apparatus includes a discriminator circuit. The signal processing apparatus is programmed to vary a threshold of the discriminator circuit based on the at least one operational parameter of the system during operation of the system.

A method includes: performing a time-frequency analysis on measurement data to obtain waveform data representing a temporal change in the intensity of each of a plurality of frequency components; dividing the waveform data of each of a plurality of predetermined frequencies into a plurality of segments so that each section where positive values successively occur and each section where negative values successively occur in a time-axis direction are defined as one segment; calculating the area of each of the segments to obtain segment values; creating, for the waveform data of each of the predetermined frequency components, a selected segment group by excluding a segment whose segment value exceeds a predetermined reference value from the segments in the waveform data; and determining a noise level of each of the predetermined frequency components based on the average value of the segment values of the segments included in the selected segment group.

The present invention relates to a breath analyzing apparatus and method. In particular the invention relates to a breath analyzing apparatus operating in the 3.3-3.6 μm wavelength range and arranged to provide absorption information in at least two different wavelength bands in the wavelength range. The absorption information from the wavelength bands are compared with tabulated data of preselected substances to identify an unidentified substance.

Exemplary embodiments provide methods, mediums, and systems for analyzing spectrometry and/or chromatography data, and in particular to techniques to improve the reproducibility of results of spectrographic and/or chromatographic experiments. For example, some embodiments provide techniques for normalizing mass spectrometry (MS) and/or liquid chromatography (LC) data across different experimental devices, allowing data from different cohorts to be directly compared. To this end, exemplary embodiments provide a reliable, reproducible target library usable across different platforms, laboratories, and users. One embodiment leverages statistical techniques to select experimental parameters configured to reduce or minimize the chance of misidentifying a target molecule. Another embodiment leverages the law of large numbers to produce a composite product ion spectrum usable across different experiments. The composite product ion spectrum allows regression curves to be generated, where the regression curves can be used to normalize an experimental mass spectrum.

Techniques and apparatus for an acquisition-stage peak width determination process are described. In one embodiment, for example, an apparatus may include at least one memory, and logic coupled to the at least one memory. The logic may be configured to implement an acquisition-stage peak width determination process operative to access acquisition-stage analytical information comprising at least one sequence of data points, determine a peak data point associated based on the peak data point meeting a plurality of acquisition-stage conditions, and determine the acquisition-stage peak width associated with the peak data point. Other embodiments are described.

An example system includes an ion detector and a signal processing apparatus in communication with the ion detector. The ion detector is arranged to detect ions during operation of the system and to generate a signal pulse in response to the detection of an ion. The signal pulse has a peak amplitude related to at least one operational parameter of the system. The signal processing apparatus is configured to analyze signal pulses from the ion detector and determine information about the detected ions during operation of the system based on the signal pulses. The signal processing apparatus includes a discriminator circuit. The signal processing apparatus is programmed to vary a threshold of the discriminator circuit based on the at least one operational parameter of the system during operation of the system.