Data quality metrics extracted from 8bb7.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": "399ba91bd4c77c760d6264ff86b1f111",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 93.544,
    "b": 108.988,
    "c": 94.043,
    "alpha": 90.00,
    "beta": 90.37,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.194,2.948],
    "number_observations_unique": 36092,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.420
      },
      {
        "type": "R(meas)",
        "value": 0.504
      },
      {
        "type": "R(pim)",
        "value": 0.274
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.953
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [47.15,10.57],
      "number_observations_unique": 896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "R(pim)",
          "value": 0.057
        },
        {
          "type": "Redundancy",
          "value": 5.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.05],
      "number_observations_unique": 4383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.358
        },
        {
          "type": "R(meas)",
          "value": 2.815
        },
        {
          "type": "R(pim)",
          "value": 1.520
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    }
  ]

}
  

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


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