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Each point in the plot corresponds to the fraction of predicted chemical shifts that fall within the specified deviation from the observed shift.
It represents the percentage of test frames that lie within a specified deviation (D k ) and is calculated as D k = | x k - y k | x k × 100.
This means we accept only a specified deviation of the energy energy (s) of the random structure s from the corresponding expected free energy μ energy,n and reject structures whose energy differs too much from the expected value.
The third of the Seven Golden Rules requires that the relative intensities of the peaks with one (M1) and two (M2) more neutrons compared to the monoisotopic (M0) peak are within a specified deviation compared to the pattern predicted for a chemical formula according to natural isotopic abundance.
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For a specified standard deviation, the production temperature can be modeled as a Gaussian distribution.
In the Canny algorithm, an image is smoothed using a Gaussian filter with a specified standard deviation,, to reduce noise.
In that case b may say that for this kind of device the measurement errors are normally distributed about whatever value a given gravitational theory predicts, with some specified standard deviation that is characteristic of the device.
In order to take the error of the second kind into account as well, we have to find the according non-central distribution of the test statistic given a specified model deviation.
More specifically, a normal distribution with a specified standard deviation (default 20) is utilized.
In these cases, it is best to use the ideal guest molecule in order to assist in the modeling of the distorted molecules through soft restraints based on equivalent sets, such as the SADI and SAME commands in SHELXL, which make 1,2 and 1,3 bond distances equivalent within a specified standard deviation, thus not requiring the introduction of explicit bond distances or angles.
They adjust the well values away from their initial values by approximately the amount assigned to the Noise definition's mean change value, with the exact amount of adjustment being randomly chosen from a Gaussian distribution centered on the mean change value and with the specified standard deviation (SD) value.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com