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contrast match point needs to include natural abundance of H #79

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pkienzle opened this issue Mar 25, 2024 · 0 comments
Open

contrast match point needs to include natural abundance of H #79

pkienzle opened this issue Mar 25, 2024 · 0 comments

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@pkienzle
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Using the formula (H0.5D0.5)2O@1n the scattering calculator reports a contrast match point of 50.1% rather than 50%.

Presumably this is because the contrast match is computed from pure H[1]2O rather natural abundance H2O, so the small natural abundance of D2O is not accounted for in the contrast match calculation.
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