Data quality metrics extracted from 9b4r.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": "0b9012bd389aa073ed440d23139d1a8c",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 65.481,
    "b": 65.481,
    "c": 107.806,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.19556],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.54,2.1],
    "number_observations_unique": 14328,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(meas)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 15.17
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 8.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.22,2.10],
      "number_observations_unique": 2214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.747
        },
        {
          "type": "R(meas)",
          "value": 0.8059999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.768
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.22],
      "number_observations_unique": 2098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.513
        },
        {
          "type": "R(meas)",
          "value": 0.546
        },
        {
          "type": "CC(1/2)",
          "value": 0.9420000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.38],
      "number_observations_unique": 2004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34299999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.366
        },
        {
          "type": "CC(1/2)",
          "value": 0.9690000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.57],
      "number_observations_unique": 1849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        },
        {
          "type": "R(meas)",
          "value": 0.239
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.81],
      "number_observations_unique": 1680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.14300000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.14],
      "number_observations_unique": 1512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.08199999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.43,3.62],
      "number_observations_unique": 1290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.24,4.43],
      "number_observations_unique": 1034,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [42.54,6.24],
      "number_observations_unique": 647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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