Data quality metrics extracted from 8a9t.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": "3836273a0e8f6aa8098643a4e3f27195",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.212,
    "b": 158.054,
    "c": 180.717,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.632,2.300],
    "number_observations": 1798313,
    "number_observations_unique": 257119,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.188
      },
      {
        "type": "R(meas)",
        "value": 0.203
      },
      {
        "type": "I/SigI",
        "value": 9.340
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.994
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.440,2.300],
      "number_observations": 272421,
      "number_observations_unique": 41489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.245
        },
        {
          "type": "R(meas)",
          "value": 3.523
        },
        {
          "type": "I/SigI",
          "value": 0.530
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.566
        },
        {
          "type": "CC(1/2)",
          "value": 0.139
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.440],
      "number_observations": 274704,
      "number_observations_unique": 39069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.060
        },
        {
          "type": "R(meas)",
          "value": 2.223
        },
        {
          "type": "I/SigI",
          "value": 0.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.031
        },
        {
          "type": "CC(1/2)",
          "value": 0.338
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.610],
      "number_observations": 247293,
      "number_observations_unique": 36354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.274
        },
        {
          "type": "R(meas)",
          "value": 1.379
        },
        {
          "type": "I/SigI",
          "value": 1.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.802
        },
        {
          "type": "CC(1/2)",
          "value": 0.566
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.820],
      "number_observations": 243123,
      "number_observations_unique": 33428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.677
        },
        {
          "type": "R(meas)",
          "value": 0.728
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.273
        },
        {
          "type": "CC(1/2)",
          "value": 0.841
        }
      ]
    },
    {
      "resolution_limits": [3.450,3.090],
      "number_observations": 221755,
      "number_observations_unique": 30247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.328
        },
        {
          "type": "R(meas)",
          "value": 0.353
        },
        {
          "type": "I/SigI",
          "value": 6.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.331
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    },
    {
      "resolution_limits": [3.980,3.450],
      "number_observations": 190368,
      "number_observations_unique": 26714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "I/SigI",
          "value": 14.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.126
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.870,3.980],
      "number_observations": 152773,
      "number_observations_unique": 22601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 26.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.760
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.850,4.870],
      "number_observations": 123063,
      "number_observations_unique": 17455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 29.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.050
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [49.632,6.850],
      "number_observations": 72813,
      "number_observations_unique": 9762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 51.380
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.459
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.632 49.632 2.610
High resolution limit [Å] 2.300 6.850 2.440
R(merge) 0.1880 0.0320 2.0600
R(meas) 0.2030 0.0350 2.2230
CC(1/2) 0.997 0.999 0.338
Completeness [%] 99.9 99.7 100.0
Multiplicity 7.0 7.5 7.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.632-6.850 0.0320 0.0350 0.999 99.7 7.5
6.850-4.870 0.0590 0.0630 0.998 100.0 8.1
4.870-3.980 0.0650 0.0710 0.998 100.0 6.8
3.980-3.450 0.1430 0.1540 0.992 100.0 7.1
3.450-3.090 0.3280 0.3530 0.960 100.0 7.3
3.090-2.820 0.6770 0.7280 0.841 100.0 7.3
2.820-2.610 1.2740 1.3790 0.566 100.0 6.8
2.610-2.440 2.0600 2.2230 0.338 100.0 7.0
2.440-2.300 3.2450 3.5230 0.139 99.7 6.6