Data quality metrics extracted from 6txh.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "d1a3a687cf3a08c7ca9c0dd4f83dcb03",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 176.172,
    "b": 176.172,
    "c": 351.708,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.068,2.198],
    "number_observations_unique": 106131,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 13.580
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 10.189
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.330,2.200],
      "number_observations": 174327,
      "number_observations_unique": 16843,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.391
        },
        {
          "type": "R(meas)",
          "value": 3.568
        },
        {
          "type": "I/SigI",
          "value": 0.630
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 10.350
        },
        {
          "type": "CC(1/2)",
          "value": 0.386
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.330],
      "number_observations": 167384,
      "number_observations_unique": 16012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.890
        },
        {
          "type": "R(meas)",
          "value": 1.988
        },
        {
          "type": "I/SigI",
          "value": 1.130
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 10.454
        },
        {
          "type": "CC(1/2)",
          "value": 0.570
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.490],
      "number_observations": 143516,
      "number_observations_unique": 14934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.061
        },
        {
          "type": "R(meas)",
          "value": 1.122
        },
        {
          "type": "I/SigI",
          "value": 2.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 9.610
        },
        {
          "type": "CC(1/2)",
          "value": 0.778
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.690],
      "number_observations": 137360,
      "number_observations_unique": 13764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.500
        },
        {
          "type": "R(meas)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 4.360
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 9.980
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [3.290,2.950],
      "number_observations": 135718,
      "number_observations_unique": 12497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "R(meas)",
          "value": 0.243
        },
        {
          "type": "I/SigI",
          "value": 9.970
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 10.860
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.290],
      "number_observations": 116446,
      "number_observations_unique": 11078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 22.570
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 10.511
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.650,3.800],
      "number_observations": 92146,
      "number_observations_unique": 9414,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 37.350
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 9.788
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.540,4.650],
      "number_observations": 69750,
      "number_observations_unique": 7343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 45.220
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 9.499
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [25.068,6.540],
      "number_observations": 44723,
      "number_observations_unique": 4246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 62.120
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 10.533
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell OuterShell
Low resolution limit [Å] 25.068 25.068 2.490
High resolution limit [Å] 2.198 6.540 2.330
R(merge) 0.1210 0.0310 1.8900
R(meas) 0.1280 0.0320 1.9880
CC(1/2) 0.999 1.000 0.570
Completeness [%] 99.6 99.5 99.7
Multiplicity 10.2 10.5 10.5


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
25.068-6.540 0.0310 0.0320 1.000 99.5 10.5
6.540-4.650 0.0450 0.0480 0.999 99.6 9.5
4.650-3.800 0.0580 0.0610 0.999 99.8 9.8
3.800-3.290 0.1030 0.1090 0.997 99.9 10.5
3.290-2.950 0.2320 0.2430 0.988 99.9 10.9
2.950-2.690 0.5000 0.5270 0.945 99.7 10.0
2.690-2.490 1.0610 1.1220 0.778 99.8 9.6
2.490-2.330 1.8900 1.9880 0.570 99.7 10.5
2.330-2.200 3.3910 3.5680 0.386 98.6 10.4