Data quality metrics extracted from 7g9z.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": "d49c2e20deb6374f5178145c506a9cc2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.709,
    "b": 69.498,
    "c": 57.473,
    "alpha": 90.00,
    "beta": 92.38,
    "gamma": 90.00
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.780,1.620],
    "number_observations": 371496,
    "number_observations_unique": 52469,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.200
      },
      {
        "type": "R(meas)",
        "value": 0.216
      },
      {
        "type": "R(pim)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 10.900
      },
      {
        "type": "Completeness",
        "value": 98.300
      },
      {
        "type": "Redundancy",
        "value": 7.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.620],
      "number_observations": 16658,
      "number_observations_unique": 2406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.526
        },
        {
          "type": "R(meas)",
          "value": 2.733
        },
        {
          "type": "R(pim)",
          "value": 1.033
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 91.700
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.171
        }
      ]
    },
    {
      "resolution_limits": [34.780,8.890],
      "number_observations": 2041,
      "number_observations_unique": 342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 57.700
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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