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51 changes: 50 additions & 1 deletion cif_pow.dic
Original file line number Diff line number Diff line change
Expand Up @@ -11625,6 +11625,55 @@ save_PD_QPA_INTENSITY_FACTOR
'_pd_qpa_intensity_factor.diffractogram_id'
'_pd_qpa_intensity_factor.phase_id'

_description_example.case
;
data_phase_A
_pd_phase.id PHASE_A
_pd_qpa_calib_factor.I_over_Ic 3.26

data_phase_B
_pd_phase.id PHASE_B
_pd_qpa_calib_factor.I_over_Ic 4.79

data_phase_C
_pd_phase.id PHASE_C
_pd_qpa_calib_factor.I_over_Ic 1.00

data_diffractogram_block
_pd_diffractogram.id UNKNOWN_DIFFRACTOGRAM

loop_
_pd_phase_mass.phase_id
_pd_phase_mass.percent
PHASE_A 52.02(15)
PHASE_B 17.90(15)
PHASE_C 30.08(14)

_pd_qpa_overall.method I/Ic

loop_
_pd_qpa_intensity_factor.phase_id
_pd_qpa_intensity_factor.value
PHASE_A 242.54(81)
PHASE_B 122.6(12)
PHASE_C 43.02(25)
;
_description_example.detail
;
A diffraction pattern containing three phases (PHASE_A, PHASE_B, and
some PHASE_C) has been quantified using the I_over_Ic
specialisation of the RIR algorithm.

The I/Ic value for each of the phases is specified by the values of
_pd_qpa_calib_factor.I_over_Ic. The intensity factors to which each
of the I/Ic values are applied are given by the values of
_pd_qpa_intensity_factor.value.

The quantification values given by _pd_phase_mass.percent can now be
confirmed by following the I/Ic algorithm detailed in
_pd_qpa_overall.method.
;

save_

save_pd_qpa_intensity_factor.diffractogram_id
Expand Down Expand Up @@ -12944,5 +12993,5 @@ save_
disparate loop; they cannot be assigned values independently.

Added examples to PD_CALC_OVERALL, PD_CALIB_INCIDENT_INTENSITY, PD_CHAR,
_pd_diffractogram.id, PD_PHASE_MASS.
_pd_diffractogram.id, PD_PHASE_MASS, PD_QPA_INTENSITY_FACTOR.
;