Data quality metrics extracted from 9feq.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": "2cac939e7be590c2a210e7a2cd6d145a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.95,
    "b": 62.08,
    "c": 68.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.60],
    "number_observations_unique": 36428,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "R(meas)",
        "value": 0.161
      },
      {
        "type": "I/SigI",
        "value": 8.41
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.85],
      "number_observations_unique": 5872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.8489999999999998
        },
        {
          "type": "R(meas)",
          "value": 3.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.337
        }
      ]
    },
    {
      "resolution_limits": [2.1,1.96],
      "number_observations_unique": 5552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.261
        },
        {
          "type": "R(meas)",
          "value": 1.383
        },
        {
          "type": "CC(1/2)",
          "value": 0.63
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.10],
      "number_observations_unique": 5152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7609999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.8370000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.8079999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.26],
      "number_observations_unique": 4745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48200000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.532
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.48],
      "number_observations_unique": 4298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28300000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [3.2,2.77],
      "number_observations_unique": 3779,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.91,3.20],
      "number_observations_unique": 3214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.51,3.91],
      "number_observations_unique": 2443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.0,5.51],
      "number_observations_unique": 1373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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