Data quality metrics extracted from 6u1h.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": "da2fe5a8dd5f3df974c9031c1a87b1f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.291,
    "b": 68.616,
    "c": 91.646,
    "alpha": 69.55,
    "beta": 78.97,
    "gamma": 66.10
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.820,2.200],
    "number_observations": 188561,
    "number_observations_unique": 56682,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "R(meas)",
        "value": 0.230
      },
      {
        "type": "R(pim)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 96.900
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.260,2.200],
      "number_observations": 13572,
      "number_observations_unique": 4369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.353
        },
        {
          "type": "R(meas)",
          "value": 1.637
        },
        {
          "type": "R(pim)",
          "value": 0.914
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.307
        }
      ]
    },
    {
      "resolution_limits": [48.820,9.590],
      "number_observations": 2490,
      "number_observations_unique": 687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "R(pim)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 14.200
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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