Data quality metrics extracted from 7ecc.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": "c119aa5e8d7c31edec15586b4e5fefc8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.738,
    "b": 85.272,
    "c": 85.487,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54056],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.130,2.000],
    "number_observations_unique": 22253,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.246
      },
      {
        "type": "R(meas)",
        "value": 0.262
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 4.200
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 8.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.970
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations": 9012,
      "number_observations_unique": 1589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.609
        },
        {
          "type": "R(meas)",
          "value": 1.774
        },
        {
          "type": "R(pim)",
          "value": 0.735
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.642
        }
      ]
    },
    {
      "resolution_limits": [20.120,8.940],
      "number_observations": 3044,
      "number_observations_unique": 272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 11.300
        },
        {
          "type": "Completeness",
          "value": 91.300
        },
        {
          "type": "Redundancy",
          "value": 11.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    }
  ]

}
  

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


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