Data quality metrics extracted from 5ef6.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": "8efc7aeb2725f9d25b9fa7b198eb7d4f",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 77.969,
    "b": 55.557,
    "c": 102.010,
    "alpha": 90.00,
    "beta": 102.24,
    "gamma": 90.00
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.160,2.980],
    "number_observations": 57890,
    "number_observations_unique": 17019,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.202
      },
      {
        "type": "R(meas)",
        "value": 0.241
      },
      {
        "type": "R(pim)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 97.900
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.160,2.980],
      "number_observations": 9303,
      "number_observations_unique": 2748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.864
        },
        {
          "type": "R(meas)",
          "value": 1.026
        },
        {
          "type": "R(pim)",
          "value": 0.549
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.781
        }
      ]
    },
    {
      "resolution_limits": [55.160,8.940],
      "number_observations": 2054,
      "number_observations_unique": 685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 13.300
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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