Data quality metrics extracted from 5r69.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": "5da7dda5da813d4d493bee538a5c2d45",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.60,
    "b": 47.44,
    "c": 58.45,
    "alpha": 67.58,
    "beta": 68.56,
    "gamma": 69.02
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.410,1.830],
    "number_observations": 62153,
    "number_observations_unique": 34543,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.138
      },
      {
        "type": "R(meas)",
        "value": 0.195
      },
      {
        "type": "R(pim)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 7.400
      },
      {
        "type": "Completeness",
        "value": 96.100
      },
      {
        "type": "Redundancy",
        "value": 1.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.956
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.880,1.830],
      "number_observations": 4693,
      "number_observations_unique": 2543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.781
        },
        {
          "type": "R(meas)",
          "value": 1.104
        },
        {
          "type": "R(pim)",
          "value": 0.781
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 95.000
        },
        {
          "type": "Redundancy",
          "value": 1.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.567
        }
      ]
    },
    {
      "resolution_limits": [42.410,8.180],
      "number_observations": 787,
      "number_observations_unique": 399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 23.800
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 2.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    }
  ]

}
  

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


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