Data quality metrics extracted from 7qez.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": "b99ee3943b3e8ee8422e17d7023ac820",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 97.751,
    "b": 97.751,
    "c": 164.474,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.880,2.880],
    "number_observations": 485839,
    "number_observations_unique": 34600,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.261
      },
      {
        "type": "R(meas)",
        "value": 0.271
      },
      {
        "type": "R(pim)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 10.200
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 14.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.020,2.880],
      "number_observations": 61055,
      "number_observations_unique": 4402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.509
        },
        {
          "type": "R(meas)",
          "value": 3.643
        },
        {
          "type": "R(pim)",
          "value": 0.971
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 13.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.214
        }
      ]
    },
    {
      "resolution_limits": [48.880,9.560],
      "number_observations": 12934,
      "number_observations_unique": 986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 36.800
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 13.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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