Data quality metrics extracted from 8ava.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": "8d43325f1c260a3776e9c5cd0d71f3b5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 77.072,
    "b": 87.094,
    "c": 99.271,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.636,1.354],
    "number_observations_unique": 105873,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.129
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 12.237
      },
      {
        "type": "Completeness",
        "value": 95.98
      },
      {
        "type": "Redundancy",
        "value": 13.27
      },
      {
        "type": "CC(1/2)",
        "value": 0.9969
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.488,1.354],
      "number_observations_unique": 5293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.730
        },
        {
          "type": "R(meas)",
          "value": 1.814
        },
        {
          "type": "R(pim)",
          "value": 0.537
        },
        {
          "type": "Completeness",
          "value": 73.4
        },
        {
          "type": "Redundancy",
          "value": 11.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.4889
        }
      ]
    },
    {
      "resolution_limits": [49.636,4.174],
      "number_observations_unique": 5293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 12.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.9961
        }
      ]
    }
  ]

}
  

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


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