Data quality metrics extracted from 7c6a.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": "d428dc0ae4bc3eb973357371c6b2cba4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.23,
    "b": 131.04,
    "c": 113.80,
    "alpha": 90.00,
    "beta": 97.07,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.770,3.400],
    "number_observations": 303868,
    "number_observations_unique": 16178,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.607
      },
      {
        "type": "R(meas)",
        "value": 0.623
      },
      {
        "type": "R(pim)",
        "value": 0.140
      },
      {
        "type": "I/SigI",
        "value": 5.100
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 18.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.670,3.400],
      "number_observations": 48531,
      "number_observations_unique": 3344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.813
        },
        {
          "type": "R(meas)",
          "value": 2.907
        },
        {
          "type": "R(pim)",
          "value": 0.720
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.490
        }
      ]
    },
    {
      "resolution_limits": [42.770,9.000],
      "number_observations": 19100,
      "number_observations_unique": 899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "R(meas)",
          "value": 0.188
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 14.300
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 21.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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