Data quality metrics extracted from 8q03.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": "1ac76a9c75c62750609c16bd496f38a1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 182.376,
    "b": 45.742,
    "c": 135.369,
    "alpha": 90.00,
    "beta": 105.63,
    "gamma": 90.00
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.67,1.48],
    "number_observations_unique": 159190,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.0820
      },
      {
        "type": "I/SigI",
        "value": 11.14
      },
      {
        "type": "Completeness",
        "value": 88.3
      },
      {
        "type": "Redundancy",
        "value": 15.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.48],
      "number_observations_unique": 15144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.968
        },
        {
          "type": "R(meas)",
          "value": 1.173
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.5710000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.57],
      "number_observations_unique": 20900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.611
        },
        {
          "type": "R(meas)",
          "value": 0.718
        },
        {
          "type": "CC(1/2)",
          "value": 0.76
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.68],
      "number_observations_unique": 24896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "R(meas)",
          "value": 0.397
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.81],
      "number_observations_unique": 23359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18899999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.215
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.22,1.98],
      "number_observations_unique": 21177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.56,2.22],
      "number_observations_unique": 18751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.13,2.56],
      "number_observations_unique": 15878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.42,3.13],
      "number_observations_unique": 12366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [46.67,4.42],
      "number_observations_unique": 6719,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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