Data quality metrics extracted from 6x1j.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": "f94cf32bf16ad44af6e8614e2026f77a",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 67.601,
    "b": 37.281,
    "c": 94.064,
    "alpha": 90.00,
    "beta": 100.44,
    "gamma": 90.00
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,1.9450],
    "number_observations_unique": 33735,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.198
      },
      {
        "type": "R(pim)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.964
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.9450],
      "number_observations_unique": 3306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.720
        },
        {
          "type": "R(meas)",
          "value": 0.858
        },
        {
          "type": "R(pim)",
          "value": 0.461
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    }
  ]

}
  

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


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