Data quality metrics extracted from 5nm1.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": "017542d062d62aac0108df6c04406cd0",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 44.873,
    "b": 103.930,
    "c": 129.422,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.223,2.099],
    "number_observations_unique": 35607,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 6.72
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.17,2.099],
      "number_observations_unique": 3189,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47
        },
        {
          "type": "I/SigI",
          "value": 1.24
        },
        {
          "type": "Completeness",
          "value": 89.91
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    }
  ]

}
  

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


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