2022
DOI: 10.1063/5.0086332
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Tracking energy scale variations from scan to scan in nuclear resonant vibrational spectroscopy: In situ correction using zero-energy position drifts ΔEi rather than making in situ calibration measurements

Abstract: Nuclear resonant vibrational spectroscopy (NRVS) is an excellent modern vibrational spectroscopy, in particular, for revealing site-specific information inside complicated molecules, such as enzymes. There are two different concepts about the energy calibration for a beamline or a monochromator (including a high resolution monochromator): the absolute energy calibration and the practical energy calibration. While the former pursues an as-fine-as-possible and as-repeatable-as-possible result, the latter include… Show more

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Cited by 2 publications
(19 citation statements)
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“…71 When a universal scaling factor is used to calibrate the energy axis for a sectional (skip) scan, which takes very different time at different data point, the energy axis can be over-scaled, resulting in a slightly higher energy positions for the characteristic peaks. 71…”
Section: Resultsmentioning
confidence: 99%
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“…71 When a universal scaling factor is used to calibrate the energy axis for a sectional (skip) scan, which takes very different time at different data point, the energy axis can be over-scaled, resulting in a slightly higher energy positions for the characteristic peaks. 71…”
Section: Resultsmentioning
confidence: 99%
“…This can be understood with the concept proposed in a recent publication about NRVS energy re-calibration. 71 In a sectional scan or a skip scan, the energy should be calibrated point by point according to their accumulated scanning time, rather than scaling with a universal factor. 71 When a universal scaling factor is used to calibrate the energy axis for a sectional (skip) scan, which takes very different time at different data point, the energy axis can be over-scaled, resulting in a slightly higher energy positions for the characteristic peaks.…”
Section: Paper Dalton Transactionsmentioning
confidence: 99%
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“…If each beamline can have a fixed α value as above, the corresponding α value is referred to as the energy calibration scale for that particular beamline or that particular HRM. Unfortunately, as mentioned in an earlier publication [40], and as will be detailed in the following, this is not the case: the measured α values are different from beamtime to beamtime and sometimes even from different calibration measurements within one beamtime. For example, the measured α values for SPring-8 BL09XU were once between 0.938 and 0.976 [5].…”
Section: Energy Calibration In Nrvsmentioning
confidence: 98%
“…According to classical concepts [39], the instrumental scale (ruler) can be calibrated while additional dispersions (instabilities due to environmental differences) are attributed to random/un-calibratable source(s). However, not all the dispersions are imprecisions and at least some energy instabilities are also trackable and "calibratable" [40]. Therefore, there should be two categories of energy calibration for a monochromator, spectrometers, or other instruments.…”
Section: Energy Calibration In Nrvsmentioning
confidence: 99%