Data quality metrics extracted from 13yz.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d9794c4fb040a67536eb18100592edb1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.281,
    "b": 83.730,
    "c": 58.922,
    "alpha": 90.00,
    "beta": 108.42,
    "gamma": 90.00
  },
  "wavelengths": [0.92202],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.700,1.450],
    "number_observations": 424777,
    "number_observations_unique": 77522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 15.700
      },
      {
        "type": "Completeness",
        "value": 86.000
      },
      {
        "type": "Redundancy",
        "value": 5.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.470,1.450],
      "number_observations": 3140,
      "number_observations_unique": 1595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.311
        },
        {
          "type": "R(meas)",
          "value": 1.736
        },
        {
          "type": "R(pim)",
          "value": 1.122
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 35.700
        },
        {
          "type": "Redundancy",
          "value": 2.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.313
        }
      ]
    },
    {
      "resolution_limits": [83.700,7.940],
      "number_observations": 3730,
      "number_observations_unique": 591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 75.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    }
  ]

}
  

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


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