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Requirements for the advanced system were first defined, followed by development of several functional modules to perform depletion and decay calculation, mixture composition calculation, decay only calculation, and a reprocessing simulation.
The initial premixed composition was provided using the specific composition calculation utility.
See Figure 3. Figure 3 Metabolite identification pipeline based on elemental composition calculation, isotope pattern scoring and subsequent database queries.
Liggins et al. [22] also found that PLA-MPEG copolymers demonstrated a biphasic thermal degradation profile, and TGA was applicable as composition calculation for PEGylated copolymers.
Section of the profile corresponding to the buffer layer can be used to check the accuracy of the composition calculation and determining the rate of ion etching, as well as to identify the effects of ion etching and evaluate depth resolution when profiling.
As for bacterial and eukaryotic proteins, significant hits were retrieved and sequences with an identity percentage >90% were removed before average amino acid composition calculation.
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Correct identification of the composition associated with the global minimum in the tangent plane distance function normally leads to successful phase behaviour and phase composition calculations.
Furthermore, when hot and multi-component fluids are considered, thermal loss and composition calculations are required to correctly evaluate pipe behaviour.
Non-uniqueness and occurrence of two sets of values for the penultimate model reactivity ratios have been explained on the basis of specified feed composition calculations.
The small amount of crosslinker, MBA, was ignored in the composition calculations because its weak proton signals could not be properly analyzed due to the complete overlap by the proton signals originating from the structurally similar NIPAM units.
The delumped equilibrium ratios were plotted versus the detailed one in Fig. 4 with an R 2 error of 1. Figure 5 shows the oil and gas phase composition compared with the phase composition calculated with flash calculation on the detailed system.
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