XmlmmCIF equivalent: phasing_MIR Data items in the PHASING_MIR category record details about the phasing of the structure, when methods involving isomorphous replacement are involved. All isomorphous based techniques are subsumed in this category, including single isomorphous replacement (SIR), multiple isomorphous replacement (MIR), single or multiple isomorphous replacement plus anomalous scattering (SIRAS, MIRAS). XmlmmCIF equivalent: phasing_MIR/FOM The mean value of the figure of merit m for all reflections phased in the native data set. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi. XmlmmCIF equivalent: phasing_MIR/FOM_acentric The mean value of the figure of merit m for the acentric reflections phased in the native data set. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi. XmlmmCIF equivalent: phasing_MIR/FOM_centric The mean value of the figure of merit m for the centric reflections phased in the native data set. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi. XmlmmCIF equivalent: phasing_MIR/d_res_high The highest resolution in angstroms for the interplanar spacing in the reflection data used for the native data set. This is the smallest d value. XmlmmCIF equivalent: phasing_MIR/d_res_low The lowest resolution in angstroms for the interplanar spacing in the reflection data used for the native data set. This is the largest d value. XmlmmCIF equivalent: phasing_MIR/details A description of special aspects of the isomorphous phasing. XmlmmCIF equivalent: phasing_MIR/method A description of the MIR phasing method applied to phase this structure. Note that this is not the computer program used, which is described in the SOFTWARE category, but rather the method itself. This data item should be used to describe significant methodological options used within the MIR phasing program. XmlmmCIF equivalent: phasing_MIR/reflns The total number of reflections phased in the native data set. XmlmmCIF equivalent: phasing_MIR/reflns_acentric The number of acentric reflections phased in the native data set. XmlmmCIF equivalent: phasing_MIR/reflns_centric The number of centric reflections phased in the native data set. XmlmmCIF equivalent: phasing_MIR/reflns_criterion Criterion used to limit the reflections used in the phasing calculations. XmlmmCIF equivalent: phasing_MIR/entry_id This data item is a pointer to _entry.id in the ENTRY category.