Data quality metrics extracted from 7qz9.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": "5af3de0ba99e67db12e48d63b5d16279",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 102.377,
    "b": 34.969,
    "c": 68.107,
    "alpha": 90.00,
    "beta": 97.54,
    "gamma": 90.00
  },
  "wavelengths": [0.91165],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.390,2.310],
    "number_observations": 36134,
    "number_observations_unique": 10549,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "R(meas)",
        "value": 0.049
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 9.000
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.390,2.310],
      "number_observations": 3526,
      "number_observations_unique": 1001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.463
        },
        {
          "type": "R(meas)",
          "value": 1.719
        },
        {
          "type": "R(pim)",
          "value": 0.895
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.415
        }
      ]
    },
    {
      "resolution_limits": [43.390,8.930],
      "number_observations": 582,
      "number_observations_unique": 199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "R(meas)",
          "value": 0.020
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 28.700
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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