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![[Figure 3]](ui5040fig3mag.jpg)
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Figure 3
Mean runtimes (n = 5), presented on logarithmic time axes, for computing (a) structure factors and (b) target gradients with respect to atomic parameters (x, y, z, B factors and occupancies) for selected entries in the PDB. The computations are performed on a single CPU core, except for TAAM computations, which are performed on both a single CPU core and on a multi-thread system (MT) to demonstrate the achievable reduction in runtime. The space group and resolution are indicated at the top. The number of atoms (including hydrogen atoms) in the asymmetric unit (ASU), number of reflections and number of gradient parameters used are indicated at the bottom. Runtime is reported in seconds (s) or milliseconds (ms). Standard deviations were <3% and are not shown due to the logarithmic time axes (values are provided in Table S1 in the supporting information). Assembly images taken from the PDB. |
![[Figure 3]](ui5040fig3.jpg)
 | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
ISSN: 1600-5767
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