Data quality metrics extracted from 5hau.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": "7ae7fc6020c40c48ef25ccbdffd88bdc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 208.782,
    "b": 449.030,
    "c": 619.335,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.000],
    "number_observations": 5295862,
    "number_observations_unique": 1140965,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.263
      },
      {
        "type": "R(meas)",
        "value": 0.296
      },
      {
        "type": "I/SigI",
        "value": 7.040
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 4.642
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.180,3.000],
      "number_observations": 812679,
      "number_observations_unique": 181074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.198
        },
        {
          "type": "R(meas)",
          "value": 1.356
        },
        {
          "type": "I/SigI",
          "value": 1.340
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.371
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.180],
      "number_observations": 828984,
      "number_observations_unique": 173282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.757
        },
        {
          "type": "R(meas)",
          "value": 0.850
        },
        {
          "type": "I/SigI",
          "value": 2.230
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.609
        }
      ]
    },
    {
      "resolution_limits": [3.670,3.400],
      "number_observations": 751459,
      "number_observations_unique": 161158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "R(meas)",
          "value": 0.593
        },
        {
          "type": "I/SigI",
          "value": 3.160
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.758
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.670],
      "number_observations": 674609,
      "number_observations_unique": 147985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.344
        },
        {
          "type": "R(meas)",
          "value": 0.388
        },
        {
          "type": "I/SigI",
          "value": 4.760
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
        }
      ]
    },
    {
      "resolution_limits": [4.490,4.020],
      "number_observations": 640819,
      "number_observations_unique": 134824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 6.850
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [5.170,4.490],
      "number_observations": 534547,
      "number_observations_unique": 118276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "R(meas)",
          "value": 0.194
        },
        {
          "type": "I/SigI",
          "value": 9.270
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [6.320,5.170],
      "number_observations": 487410,
      "number_observations_unique": 101318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 11.980
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [8.860,6.320],
      "number_observations": 358302,
      "number_observations_unique": 78161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 16.610
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [49.658,8.860],
      "number_observations": 207053,
      "number_observations_unique": 44887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 36.990
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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