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Figure 4 shows experimental data for the structure with QWRs.
The theoretical data set is used as input data for the structure elucidation software COCON.
Data for the structure type, floor number, land usage, and the location of residential buildings are extracted from GIS database.
Crystallographic data for the structure of 1 have been deposited in the Cambridge Crystallographic Data Centre (deposition number CCDC 870095).
Crystallographic data for the structure determination has been deposited with the Cambridge Crystallographic Data number CCDC 1518921.
Crystallographic data for the structure of 1′ have been deposited in the Cambridge Crystallographic Data Centre (deposition No. CCDC1037348).
Similar(45)
We found that the use of sparse or poorly constraining NMR data for the structure-based assignment cannot lead to a unique assignment of all peaks.
C2A cannot predict entirely new fragment geometries, and assumes that known structures are reasonable sources for data for the structures we are attempting to predict.
Three different methods of producing heavy atom derivatized crystals, for acquiring data for phasing the structure, have been tested.
In other words, accurate and reliable data for modeling the structure leads to more appropriate results in damage detection.
High quality crystals of PCPEL2 would be necessarily optimized in order to get a good X-ray diffraction data set for the structure determination.
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