$ gemmi cif2mtz --print-spec
# Each line in the spec contains 4-5 words:
# - tag (without category) from _refln or _diffrn_refln
# - MTZ column label
# - MTZ column type
# - MTZ dataset for the column (must be 0 or 1)
# - (optional) how to map mmCIF symbols to MTZ numbers
# For MERGED data only. Use --print-spec --unmerged for unmerged.
# Conversion of the first MTZ columns (H K L) is hardcoded - not in the spec.
pdbx_r_free_flag FreeR_flag I 0
status FreeR_flag I 0 o=1,f=0
intensity_meas IMEAN J 1
F_squared_meas IMEAN J 1
intensity_sigma SIGIMEAN Q 1
F_squared_sigma SIGIMEAN Q 1
pdbx_I_plus I(+) K 1
pdbx_I_plus_sigma SIGI(+) M 1
pdbx_I_minus I(-) K 1
pdbx_I_minus_sigma SIGI(-) M 1
F_meas FP F 1
F_meas_au FP F 1
F_meas_sigma SIGFP Q 1
F_meas_sigma_au SIGFP Q 1
pdbx_F_plus F(+) G 1
pdbx_F_plus_sigma SIGF(+) L 1
pdbx_F_minus F(-) G 1
pdbx_F_minus_sigma SIGF(-) L 1
pdbx_anom_difference DP D 1
pdbx_anom_difference_sigma SIGDP Q 1
F_calc FC F 1
F_calc_au FC F 1
phase_calc PHIC P 1
pdbx_F_calc_with_solvent F-model F 1
pdbx_phase_calc_with_solvent PHIF-model P 1
fom FOM W 1
weight FOM W 1
pdbx_HL_A_iso HLA A 1
pdbx_HL_B_iso HLB A 1
pdbx_HL_C_iso HLC A 1
pdbx_HL_D_iso HLD A 1
pdbx_FWT FWT F 1
pdbx_PHWT PHWT P 1
pdbx_DELFWT DELFWT F 1
pdbx_DELPHWT PHDELWT P 1

$ gemmi cif2mtz --print-spec --unmerged
# Each line in the spec contains 4-5 words:
# - tag (without category) from _refln or _diffrn_refln
# - MTZ column label
# - MTZ column type
# - MTZ dataset for the column (must be 0 or 1)
# - (optional) how to map mmCIF symbols to MTZ numbers
# For UNMERGED data only. Conversion of the first MTZ columns
# (H K L M/ISYM BATCH) is hardcoded - not in the spec.
intensity_meas I J 0
intensity_net I J 0
intensity_sigma SIGI Q 0
pdbx_detector_x XDET R 0
pdbx_detector_y YDET R 0
pdbx_scan_angle ROT R 0
