Data quality metrics extracted from 9g4c.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "6e7b0e935aa798906d185d72c2f17eba",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 143.26,
    "b": 155.48,
    "c": 96.72,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.5],
    "number_observations_unique": 75165,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "I/SigI",
        "value": 7.47
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.6,2.50],
      "number_observations_unique": 8217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.066
        },
        {
          "type": "R(meas)",
          "value": 2.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [2.8,2.60],
      "number_observations_unique": 13198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.307
        },
        {
          "type": "R(meas)",
          "value": 1.427
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        }
      ]
    },
    {
      "resolution_limits": [3.1,2.80],
      "number_observations_unique": 13933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "R(meas)",
          "value": 0.651
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [3.5,3.10],
      "number_observations_unique": 11983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "R(meas)",
          "value": 0.271
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [4.1,3.50],
      "number_observations_unique": 10377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.8,4.10],
      "number_observations_unique": 6464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.7,4.80],
      "number_observations_unique": 4358,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.0,5.70],
      "number_observations_unique": 4173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [12.0,8.00],
      "number_observations_unique": 1699,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.0,12.00],
      "number_observations_unique": 763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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