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The average grain size are calculated using the Scherrer's equation based on the full width at half maximum (FWHM) of the (101) peak of the compounds.
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Here, λ is the X-ray wavelength (1.54060 × 10−10 m) of the incident light, β is the full width at half-maximum which is the peak width at half of the total peak height of the compound and θ is the peak diffraction angle.
The area under the spectral peak of the compound and the IS were used to calculate the response factor (RF) (equation 1).
Area under the spectral peak of the compound and the IS for an actual sample are used to calculate the concentration of the compound in the injected volume of the sample.
The kinetic parameters of the exothermic peaks of the compounds were calculated by applying five integral methods and one differential method, and the most probable kinetic mechanism functions for the compounds are the same and can be described as G = 1 − (1 − α 4, f = 1/4(1 − α)−3.
The quantities of the major components of the blends were estimated based on the peak areas of the compounds compared to the peak areas of the internal standards.
The Waters Xbridge C18 column improved the peak shape of the compounds from those obtained on the Gemini column.
After mixing these differentially labeled samples, relative quantitative information is obtained by comparing the intensity ratios between the 'heavy' and 'light' isotopic peaks of the compound.
MRM settings for these 543.7 MW products were derived by measuring product ions from principal peaks of the compound and then optimizing collision energies for each resulting transition.
If there was an interfering compound but insufficient evidence for the presence of the target analyte (type II), the GC/MS analyst reported the result as a nondetect with a DL equal to the entire peak of the coeluting compounds.
If the target analyte and the interference were both present (type III), the analyst reported an "elevated detect" with a concentration equal to the entire peak of the coeluting compounds.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com