Data quality metrics extracted from 5sai.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": "d50e2cecf1bca9db8efd7a0c510aea6a",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 149.947,
    "b": 149.947,
    "c": 112.860,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91266],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [129.850,2.020],
    "number_observations": 949707,
    "number_observations_unique": 94026,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.272
      },
      {
        "type": "R(meas)",
        "value": 0.287
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 6.000
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 10.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.060,2.020],
      "number_observations": 46522,
      "number_observations_unique": 4548,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.334
        },
        {
          "type": "R(meas)",
          "value": 3.511
        },
        {
          "type": "R(pim)",
          "value": 1.093
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 10.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.407
        }
      ]
    },
    {
      "resolution_limits": [129.850,11.070],
      "number_observations": 6506,
      "number_observations_unique": 611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 28.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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