Data quality metrics extracted from 5sa6.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": "4a328be28863c8ea729ca520a2f70d19",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 150.629,
    "b": 150.629,
    "c": 110.583,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91257],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [130.440,2.520],
    "number_observations": 479132,
    "number_observations_unique": 48311,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.265
      },
      {
        "type": "R(meas)",
        "value": 0.280
      },
      {
        "type": "R(pim)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 5.700
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 9.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.822
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.600,2.520],
      "number_observations": 44877,
      "number_observations_unique": 4375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.509
        },
        {
          "type": "R(meas)",
          "value": 2.641
        },
        {
          "type": "R(pim)",
          "value": 0.823
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 10.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.431
        }
      ]
    },
    {
      "resolution_limits": [130.440,10.070],
      "number_observations": 8480,
      "number_observations_unique": 797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 19.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.715
        }
      ]
    }
  ]

}
  

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


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