Data quality metrics extracted from 7nh2.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": "97b32b61eadab3fd914b19fd45a5f77c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 32.474,
    "b": 35.221,
    "c": 38.177,
    "alpha": 114.510,
    "beta": 100.436,
    "gamma": 97.766
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.76,1.349],
    "number_observations_unique": 30036,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 92.64
      },
      {
        "type": "Redundancy",
        "value": 1.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.956
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.397,1.349],
      "number_observations_unique": 2887,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 88.38
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.496
        }
      ]
    }
  ]

}
  

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


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