Data quality metrics extracted from 7mel.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": "3ce68fed9771fc70524f30bfd94ba0d3",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 113.049,
    "b": 113.049,
    "c": 311.506,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97870],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.78,1.75],
    "number_observations_unique": 195923,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09187
      },
      {
        "type": "R(meas)",
        "value": 0.09576
      },
      {
        "type": "R(pim)",
        "value": 0.02625
      },
      {
        "type": "I/SigI",
        "value": 16.20
      },
      {
        "type": "Completeness",
        "value": 96.21
      },
      {
        "type": "Redundancy",
        "value": 11.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.813,1.75],
      "number_observations_unique": 14983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.308
        },
        {
          "type": "R(meas)",
          "value": 1.618
        },
        {
          "type": "R(pim)",
          "value": 0.9307
        },
        {
          "type": "I/SigI",
          "value": 0.93
        },
        {
          "type": "Completeness",
          "value": 71.70
        },
        {
          "type": "Redundancy",
          "value": 2.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    }
  ]

}
  

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


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