Data quality metrics extracted from 6xl4.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": "c1a992b95438229ebb009a4a0c1db7a4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.542,
    "b": 101.707,
    "c": 86.972,
    "alpha": 90.00,
    "beta": 102.72,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.890,2.060],
    "number_observations": 521790,
    "number_observations_unique": 74581,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.205
      },
      {
        "type": "R(meas)",
        "value": 0.221
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 5.300
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 7.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.110,2.060],
      "number_observations": 39489,
      "number_observations_unique": 5504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.869
        },
        {
          "type": "R(meas)",
          "value": 2.013
        },
        {
          "type": "R(pim)",
          "value": 0.744
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 7.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.765
        }
      ]
    },
    {
      "resolution_limits": [84.890,9.210],
      "number_observations": 6320,
      "number_observations_unique": 888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "R(pim)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 14.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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