Data quality metrics extracted from 7u2v.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": "bc3614bc4adf88bc5cac387d81f1140a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.846,
    "b": 54.613,
    "c": 71.464,
    "alpha": 90.00,
    "beta": 102.19,
    "gamma": 90.00
  },
  "wavelengths": [1.73816],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.920,2.550],
    "number_observations": 407151,
    "number_observations_unique": 8552,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.410
      },
      {
        "type": "R(meas)",
        "value": 0.416
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 20.200
      },
      {
        "type": "Completeness",
        "value": 84.200
      },
      {
        "type": "Redundancy",
        "value": 47.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.660,2.550],
      "number_observations": 12083,
      "number_observations_unique": 415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.162
        },
        {
          "type": "R(meas)",
          "value": 3.223
        },
        {
          "type": "R(pim)",
          "value": 0.609
        },
        {
          "type": "I/SigI",
          "value": 8.000
        },
        {
          "type": "Completeness",
          "value": 35.100
        },
        {
          "type": "Redundancy",
          "value": 29.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    },
    {
      "resolution_limits": [39.920,8.830],
      "number_observations": 12521,
      "number_observations_unique": 257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 28.500
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 48.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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