Data quality metrics extracted from 7gaj.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": "fb7c8d56cd430bcbc8099d39f4e3eb71",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 61.003,
    "b": 61.003,
    "c": 35.331,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.150,1.890],
    "number_observations": 145177,
    "number_observations_unique": 10634,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.118
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 10.500
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 13.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.930,1.890],
      "number_observations": 9643,
      "number_observations_unique": 680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.099
        },
        {
          "type": "R(meas)",
          "value": 5.288
        },
        {
          "type": "R(pim)",
          "value": 1.395
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.323
        }
      ]
    },
    {
      "resolution_limits": [43.150,9.070],
      "number_observations": 1183,
      "number_observations_unique": 112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 57.900
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 10.600
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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