Data quality metrics extracted from 9gaj.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": "ca2e0aed9fe0a987f93f870b9e4c653e",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 78.512,
    "b": 81.515,
    "c": 45.893,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.893,1.64],
    "number_observations_unique": 67930,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(meas)",
        "value": 0.092
      },
      {
        "type": "R(pim)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 7.34
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 2.43
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.64],
      "number_observations_unique": 10792,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.51
        },
        {
          "type": "Completeness",
          "value": 95.7
        },
        {
          "type": "Redundancy",
          "value": 2.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.229
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.74],
      "number_observations_unique": 10354,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.02
        },
        {
          "type": "Completeness",
          "value": 97.3
        },
        {
          "type": "Redundancy",
          "value": 2.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.48
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.86],
      "number_observations_unique": 9795,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 2.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.789
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.00],
      "number_observations_unique": 9021,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.82
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 2.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.923
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.20],
      "number_observations_unique": 8001,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.02
        },
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "Redundancy",
          "value": 2.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.45],
      "number_observations_unique": 7093,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 10.32
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 2.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.47,2.83],
      "number_observations_unique": 5909,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 18.70
        },
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 2.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.89,3.47],
      "number_observations_unique": 4454,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 26.30
        },
        {
          "type": "Completeness",
          "value": 93.4
        },
        {
          "type": "Redundancy",
          "value": 2.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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