Macromolecular dictionary (mmCIF) version 2.0.09




   Data items in the PHASING_MIR_DER_REFLN category record details
   about the calculated structure factors obtained in an MIR
   phasing experiment.

   This list may contain information from a number of different
   derivatives; _phasing_MIR_der_refln.der_id indicates to which
   derivative a given record corresponds. (A derivative in this
   context does not necessarily equate with a data set; see the
   definition of the PHASING_MIR_DER category for a
   discussion of the meaning of derivative.)

   It is not necessary for the data items describing the measured
   value of F to appear in this list, as they will be
   given in the PHASING_SET_REFLN category. However, these
   items can also be listed here for completeness.


Example 1 - based on laboratory records for the 6,1,25 reflection of an Hg/Pt derivative of protein NS1.
    _phasing_MIR_der_refln.index_h         6
    _phasing_MIR_der_refln.index_k         1
    _phasing_MIR_der_refln.index_l        25
    _phasing_MIR_der_refln.der_id         HGPT1
    _phasing_MIR_der_refln.set_id       'NS1-96'
    _phasing_MIR_der_refln.F_calc_au     106.66
    _phasing_MIR_der_refln.F_meas_au     204.67
    _phasing_MIR_der_refln.F_meas_sigma    6.21
    _phasing_MIR_der_refln.HL_A_iso       -3.15
    _phasing_MIR_der_refln.HL_B_iso       -0.76
    _phasing_MIR_der_refln.HL_C_iso        0.65
    _phasing_MIR_der_refln.HL_D_iso        0.23
    _phasing_MIR_der_refln.phase_calc    194.48

Category groups:
Category keys:

Mandatory category: no