Data quality metrics extracted from 7r7l.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": "9ce74a7714dda57e49a8308e18409165",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 55.55,
    "b": 83.45,
    "c": 218.76,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.530,3.000],
    "number_observations": 283268,
    "number_observations_unique": 21216,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.246
      },
      {
        "type": "R(meas)",
        "value": 1.296
      },
      {
        "type": "R(pim)",
        "value": 0.354
      },
      {
        "type": "I/SigI",
        "value": 3.100
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 13.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.891
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.180,3.000],
      "number_observations": 45695,
      "number_observations_unique": 3349,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.756
        },
        {
          "type": "R(meas)",
          "value": 4.947
        },
        {
          "type": "R(pim)",
          "value": 1.346
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.334
        }
      ]
    },
    {
      "resolution_limits": [49.530,9.000],
      "number_observations": 10322,
      "number_observations_unique": 898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "R(pim)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 8.500
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 11.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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