Temperature value: Difference between revisions

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==Data Format==

In the [[PDB file format]], each atom is given not only X, Y, and Z Cartesian coordinates, but two additional values immediately following called '''occupancy''' and '''temperature value''' (also known as the '''isotropic B value''', '''temperature factor''', '''Debye-Waller factor''', or '''B-factor'''). If the end of a chain adopts either of two stable positions with equal probability, each position has 50% occupancy. The temperature factor is provided to quantitate the level of thermal motion. However, these two components of disorder cannot be distinguished with crystal diffraction data alone. Therefore, the occupancy is often given as 1.0 (100%), while the degree of "blur" in the electron density map, representing both components of disorder, is reported in the temperature value field. These values are mapped to colors when a crystallographic result is colored by temperature.

In the [[PDB file format]], each atom is given not only X, Y, and Z Cartesian coordinates, but two additional values immediately following called '''occupancy''' and '''temperature value''' (also known as the '''isotropic B value''', '''temperature factor''', '''Debye-Waller factor''', or '''B-factor'''). If the end of a chain adopts either of two stable positions with equal probability, each position has 50% occupancy. The temperature factor is provided to quantitate the level of thermal motion. However, these two components of disorder cannot be distinguished with crystal diffraction data alone. Therefore, the occupancy is often given as 1.0 (100%), while the degree of "blur" in the [[electron density map]], representing both components of disorder, is reported in the temperature value field. These values are mapped to colors when a crystallographic result is colored by temperature.

==Uncertainty in NMR Models==

Temperature value: Difference between revisions

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@@ Line 26: / Line 26: @@
 ==Data Format==
-In the [[PDB file format]], each atom is given not only X, Y, and Z Cartesian coordinates, but two additional values immediately following called '''occupancy''' and '''temperature value''' (also known as the '''isotropic B value''', '''temperature factor''', '''Debye-Waller factor''', or '''B-factor'''). If the end of a chain adopts either of two stable positions with equal probability, each position has 50% occupancy. The temperature factor is provided to quantitate the level of thermal motion. However, these two components of disorder cannot be distinguished with crystal diffraction data alone. Therefore, the occupancy is often given as 1.0 (100%), while the degree of "blur" in the electron density map, representing both components of disorder, is reported in the temperature value field. These values are mapped to colors when a crystallographic result is colored by temperature.
+In the [[PDB file format]], each atom is given not only X, Y, and Z Cartesian coordinates, but two additional values immediately following called '''occupancy''' and '''temperature value''' (also known as the '''isotropic B value''', '''temperature factor''', '''Debye-Waller factor''', or '''B-factor'''). If the end of a chain adopts either of two stable positions with equal probability, each position has 50% occupancy. The temperature factor is provided to quantitate the level of thermal motion. However, these two components of disorder cannot be distinguished with crystal diffraction data alone. Therefore, the occupancy is often given as 1.0 (100%), while the degree of "blur" in the [[electron density map]], representing both components of disorder, is reported in the temperature value field. These values are mapped to colors when a crystallographic result is colored by temperature.
 ==Uncertainty in NMR Models==