Data quality metrics extracted from 5sc2.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": "17b45939ec83eb9a9ccb2cc9c2888d79",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 30.797,
    "b": 82.063,
    "c": 32.196,
    "alpha": 90.0,
    "beta": 117.7,
    "gamma": 90.0
  },
  "wavelengths": [0.91808],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.506,1.208],
    "number_observations": 104481,
    "number_observations_unique": 30235,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.058
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 13.900
      },
      {
        "type": "Completeness",
        "value": 75.800
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.303,1.208],
      "number_observations": 4098,
      "number_observations_unique": 1513,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.617
        },
        {
          "type": "R(pim)",
          "value": 0.349
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 23.800
        },
        {
          "type": "Redundancy",
          "value": 2.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.714
        }
      ]
    },
    {
      "resolution_limits": [28.506,3.696],
      "number_observations": 5408,
      "number_observations_unique": 1512,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 33.600
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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