Data quality metrics extracted from 5sab.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": "9f3d204c8f0eef6ac7d5ea4d4b1465c1",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 150.160,
    "b": 150.160,
    "c": 112.275,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91257],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [130.040,2.490],
    "number_observations": 531008,
    "number_observations_unique": 50404,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.541
      },
      {
        "type": "R(meas)",
        "value": 0.568
      },
      {
        "type": "R(pim)",
        "value": 0.174
      },
      {
        "type": "I/SigI",
        "value": 4.100
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 10.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.620,2.490],
      "number_observations": 79342,
      "number_observations_unique": 7296,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.942
        },
        {
          "type": "R(meas)",
          "value": 5.183
        },
        {
          "type": "R(pim)",
          "value": 1.558
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 10.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.345
        }
      ]
    },
    {
      "resolution_limits": [130.040,7.860],
      "number_observations": 16658,
      "number_observations_unique": 1653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 18.300
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 10.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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