Data quality metrics extracted from 4nia.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": "f3ef0659b7bc88ac45f03f4639e9c1fe",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 174.268,
    "b": 191.774,
    "c": 202.503,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.04,1.82],
    "number_observations_unique": 268316,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "Completeness",
        "value": 89.46
      },
      {
        "type": "Redundancy",
        "value": 8.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.919,1.820],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 75.0
        }
      ]
    },
    {
      "resolution_limits": [2.036,1.919],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83.7
        }
      ]
    },
    {
      "resolution_limits": [2.176,2.036],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.0
        }
      ]
    },
    {
      "resolution_limits": [2.351,2.176],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.5
        }
      ]
    },
    {
      "resolution_limits": [2.575,2.351],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [2.878,2.575],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [3.323,2.878],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.068,3.323],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [5.747,4.068],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 1.00
        }
      ]
    },
    {
      "resolution_limits": [500.0,5.747],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    }
  ]

}
  

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


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