Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Spectrus: Exporting NMR spectra as images for reports and presentations
DescriptionUsers frequently need to include NMR spectra in documents or slides. Spectrus can export high-quality images of spectra with annotations.SolutionOpen the processed NMR spectrum in Spectr...
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Spectrus: Referencing chemical shifts to a standard (TMS or solvent)
DescriptionAccurate chemical shift referencing is important for comparing spectra and reporting assignments. Spectra are usually referenced to TMS (0 ppm) or to residual solvent peaks with known po...
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Spectrus: Choosing acquisition parameters for quantitative NMR (qNMR)
DescriptionQuantitative NMR requires specific acquisition settings so that signal integrals are directly proportional to the number of nuclei. If relaxation delays are too short or pulse angles are...
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Spectrus: Using an internal standard for quantitative NMR (qNMR)
DescriptionQuantitative NMR (qNMR) requires an internal standard with known purity and concentration. Spectrus can use integrals of the analyte and standard peaks to calculate analyte concentration...
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Spectrus: Handling overlapping multiplets in crowded regions of NMR spectrum
DescriptionIn crowded spectral regions, multiple multiplets can overlap, making it difficult to assign peaks and obtain accurate integrals. Spectrus provides tools to zoom, deconvolute, and manuall...
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Spectrus: Exporting NMR peak tables and assignments to TXT or JSON
DescriptionUsers often need NMR peak positions, integrals, and assignments in a spreadsheet for external processing or reporting. Spectrus can export these data tables directly to text or JSON form...
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Spectrus: Reassigning NMR peaks after structure changes in Spectrus
DescriptionIf a structure is modified after NMR assignments have been created (for example, adding/removing atoms, changing numbering), existing assignments may no longer match correctly. Spectrus ...
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Spectrus: Handling solvent peaks and reference signals in NMR spectrum
DescriptionSolvent peaks and reference compounds (e.g., TMS, residual solvent signals) are often present in NMR spectra. Properly identifying and, where needed, excluding these peaks is important f...
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Spectrus: Organizing multi‑technique data (LC/MS, NMR, UV) in one Spectrus project
DescriptionA typical workflow involves combining multiple analytical techniques (LC/MS, NMR, UV/Vis, etc.) for a single sample or set of samples. Spectrus allows organizing these data together in o...
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Spectrus: Understanding “Intensity” vs “Integral” values for NMR data in Spectrus
DescriptionIn NMR, intensity and integral represent different numerical measures:Intensity is the height of a peak at a specific frequency point (amplitude of the signal).Integral is the area under...