Data quality metrics extracted from 7r5i.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": "596bfa0488b82a4e55dc16d2963eefec",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.310,
    "b": 82.587,
    "c": 98.002,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.85000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.150,1.080],
    "number_observations": 8490741,
    "number_observations_unique": 200036,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "R(meas)",
        "value": 0.059
      },
      {
        "type": "R(pim)",
        "value": 0.009
      },
      {
        "type": "I/SigI",
        "value": 25.500
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 42.400
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.140,1.080],
      "number_observations": 878540,
      "number_observations_unique": 28357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.178
        },
        {
          "type": "R(meas)",
          "value": 5.264
        },
        {
          "type": "R(pim)",
          "value": 0.922
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 31.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.704
        }
      ]
    },
    {
      "resolution_limits": [63.150,3.420],
      "number_observations": 254686,
      "number_observations_unique": 6335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.005
        },
        {
          "type": "I/SigI",
          "value": 142.300
        },
        {
          "type": "Completeness",
          "value": 92.700
        },
        {
          "type": "Redundancy",
          "value": 40.200
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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