Data quality metrics extracted from 8b03.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": "df4a4956ffb8154c9dbe1482cc6b6260",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 182.566,
    "b": 60.445,
    "c": 67.257,
    "alpha": 90.00,
    "beta": 94.67,
    "gamma": 90.00
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.490,2.220],
    "number_observations": 249424,
    "number_observations_unique": 36334,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.243
      },
      {
        "type": "R(meas)",
        "value": 0.263
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.290,2.220],
      "number_observations": 22873,
      "number_observations_unique": 3307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.584
        },
        {
          "type": "R(meas)",
          "value": 1.713
        },
        {
          "type": "R(pim)",
          "value": 0.649
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.713
        }
      ]
    },
    {
      "resolution_limits": [45.490,8.880],
      "number_observations": 3976,
      "number_observations_unique": 615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 25.400
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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