Data quality metrics extracted from 4w9n.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": "2f1a03e9e47de5304b7b77f91b7c9ec2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.564,
    "b": 75.834,
    "c": 83.264,
    "alpha": 65.38,
    "beta": 88.87,
    "gamma": 65.08
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.430,1.840],
    "number_observations": 695699,
    "number_observations_unique": 112996,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.195
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 8.300
      },
      {
        "type": "Completeness",
        "value": 95.900
      },
      {
        "type": "Redundancy",
        "value": 6.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.870,1.840],
      "number_observations": 18384,
      "number_observations_unique": 4925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.578
        },
        {
          "type": "R(pim)",
          "value": 0.927
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 84.500
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.525
        }
      ]
    },
    {
      "resolution_limits": [28.430,10.080],
      "number_observations": 4781,
      "number_observations_unique": 681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "R(pim)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 29.300
        },
        {
          "type": "Completeness",
          "value": 94.500
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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