Data quality metrics extracted from 7ia6.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": "fbc337ada671ffc0ad3c89e38c0de09f",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 42.791,
    "b": 42.791,
    "c": 216.933,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92134],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.790,2.040],
    "number_observations": 316082,
    "number_observations_unique": 13817,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.422
      },
      {
        "type": "R(meas)",
        "value": 0.431
      },
      {
        "type": "R(pim)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 22.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.150,2.040],
      "number_observations": 47160,
      "number_observations_unique": 1949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 15.625
        },
        {
          "type": "R(pim)",
          "value": 3.135
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.456
        }
      ]
    },
    {
      "resolution_limits": [42.790,6.460],
      "number_observations": 9707,
      "number_observations_unique": 549,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 25.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 17.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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