Data quality metrics extracted from 7xyd.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": "cb62e0d8b8d301a255fb94deefd1219d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.140,
    "b": 93.203,
    "c": 93.130,
    "alpha": 90.0,
    "beta": 100.6,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.81,2.58],
    "number_observations_unique": 25667,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(meas)",
        "value": 0.19
      },
      {
        "type": "I/SigI",
        "value": 8.11
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 5.29
      },
      {
        "type": "CC(1/2)",
        "value": 0.9890000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.58],
      "number_observations_unique": 4123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.845
        },
        {
          "type": "R(meas)",
          "value": 0.9359999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.645
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.74],
      "number_observations_unique": 3921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.596
        },
        {
          "type": "R(meas)",
          "value": 0.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.93],
      "number_observations_unique": 3573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.376
        },
        {
          "type": "R(meas)",
          "value": 0.419
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.16],
      "number_observations_unique": 3383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23600000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.261
        },
        {
          "type": "CC(1/2)",
          "value": 0.9640000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.86,3.46],
      "number_observations_unique": 3044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [4.46,3.86],
      "number_observations_unique": 2632,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.10400000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [5.45,4.46],
      "number_observations_unique": 2290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.08800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [7.66,5.45],
      "number_observations_unique": 1701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [39.81,7.66],
      "number_observations_unique": 1000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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