Data quality metrics extracted from 5sdr.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": "4984d966f8b1b17b69ea1917fbd43c1e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 101.326,
    "b": 116.924,
    "c": 148.068,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91589],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.763,2.077],
    "number_observations": 482462,
    "number_observations_unique": 73739,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 13.300
      },
      {
        "type": "Completeness",
        "value": 93.600
      },
      {
        "type": "Redundancy",
        "value": 6.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.268,2.077],
      "number_observations": 20577,
      "number_observations_unique": 3688,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.029
        },
        {
          "type": "R(pim)",
          "value": 0.430
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 71.700
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    },
    {
      "resolution_limits": [91.763,6.524],
      "number_observations": 22922,
      "number_observations_unique": 3687,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 37.800
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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