Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Spectrus: Best practices for importing large xC/UV/MS datasets without crashes
DescriptionVery large datasets (for example, long xC/UV/MS sequences, or folders with hundreds of raw data files) can stress memory and I/O when imported naively into Spectrus. Adopting a structure...
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Spectrus: Avoiding out‑of‑memory and HDF5 errors when importing large batches of xC/UV/MS files
DescriptionImporting very large numbers of xC/UV/MS vendor files in a single operation can exhaust system resources and trigger low‑level HDF5 or “out of memory” errors in some Spectrus versions. T...
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Spectrus: Handling polarity switching data (positive and negative mode) in xC/MS
DescriptionSome xC/UV/MS methods use polarity switching, producing both positive and negative ion data within one run. Spectrus can separate and analyze these data streams.SolutionImport the xC/UV/...
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Spectrus: Using isotopic labeling experiments to support structural assignment in xC/UV/MS data
DescriptionIsotopic labeling (e.g., ²H, ¹³C, ¹⁵N) can shift specific ions in MS spectra and clarify which atoms participate in fragments. Spectrus can compare labeled vs unlabeled spectra to suppor...
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Spectrus: Generating spectra difference plots to highlight subtle changes in UV/Vis spectra
DescriptionSmall spectral changes between two UV/Vis measurements (e.g., before and after reaction, or different pH) can be easier to see in a difference plot. Spectrus supports subtracting one spe...
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Spectrus: Using retention time and MS/MS to confirm identity vs reference in xC/UV/MS data
DescriptionComponent identification is often based on comparing both retention time and MS/MS spectra to a reference standard. Spectrus can store and compare both for confident identification.Solut...
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Spectrus: Using background subtraction to enhance low‑level components in LC/MS data
DescriptionHigh chemical background or matrix signals can mask low‑abundance analytes. Spectrus allows background subtraction to enhance visibility of weak components.SolutionAcquire an appropriate...
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Spectrus: Handling saturated peaks and UV/MS detector overload
DescriptionUV and MS detectors can saturate when analyte concentration is too high. Saturated peaks may appear flattened or clipped and yield unreliable area measurements. Spectrus can highlight su...
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Spectrus: Saving and reusing processing methods (integration, peak picking) for xC/UV/MS data
DescriptionConsistent processing of xC/UV/MS batches requires standardized methods for peak picking, integration, and noise handling. Spectrus can save these settings as methods that can be applied...
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Spectrus: Creating calibration curves for quantitative UV/Vis analysis
DescriptionQuantitative UV/Vis spectroscopy relies on calibration curves relating absorbance to concentration. Spectrus can process multiple standards and generate these curves using the Optical Wo...