Data quality metrics extracted from 7m53.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": "815e95572a3b66bee1e5e19145316296",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 93.183,
    "b": 60.360,
    "c": 79.699,
    "alpha": 90.00,
    "beta": 93.63,
    "gamma": 90.00
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.500,1.270],
    "number_observations": 329229,
    "number_observations_unique": 107997,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "R(meas)",
        "value": 0.039
      },
      {
        "type": "R(pim)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 10.100
      },
      {
        "type": "Completeness",
        "value": 93.100
      },
      {
        "type": "Redundancy",
        "value": 3.000
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.290,1.270],
      "number_observations": 4677,
      "number_observations_unique": 3220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.427
        },
        {
          "type": "R(meas)",
          "value": 1.980
        },
        {
          "type": "R(pim)",
          "value": 1.369
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 56.400
        },
        {
          "type": "Redundancy",
          "value": 1.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.327
        }
      ]
    },
    {
      "resolution_limits": [46.500,6.960],
      "number_observations": 2401,
      "number_observations_unique": 751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.014
        },
        {
          "type": "R(pim)",
          "value": 0.007
        },
        {
          "type": "I/SigI",
          "value": 40.800
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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