Data quality metrics extracted from 7zet.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": "a921c3fe289d73a92df34ccc14bb621e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.742,
    "b": 43.808,
    "c": 102.800,
    "alpha": 90.00,
    "beta": 107.29,
    "gamma": 90.00
  },
  "wavelengths": [0.77490],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.080,2.800],
    "number_observations": 50668,
    "number_observations_unique": 13861,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 5.900
      },
      {
        "type": "Completeness",
        "value": 98.200
      },
      {
        "type": "Redundancy",
        "value": 3.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.950,2.800],
      "number_observations": 7108,
      "number_observations_unique": 1966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.656
        },
        {
          "type": "R(meas)",
          "value": 1.942
        },
        {
          "type": "R(pim)",
          "value": 1.000
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.417
        }
      ]
    },
    {
      "resolution_limits": [49.080,8.850],
      "number_observations": 1471,
      "number_observations_unique": 463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 19.400
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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