Data quality metrics extracted from 4nnm.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": "c33594e669e6653db449aae61b2555f0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 27.009,
    "b": 35.043,
    "c": 65.626,
    "alpha": 79.62,
    "beta": 87.61,
    "gamma": 90.00
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.308,1.6],
    "number_observations_unique": 30055,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.6],
      "number_observations_unique": 5196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "I/SigI",
          "value": 3.57
        },
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.7],
      "number_observations_unique": 5483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 22.7
        },
        {
          "type": "I/SigI",
          "value": 5.90
        },
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.84],
      "number_observations_unique": 4755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 12.5
        },
        {
          "type": "I/SigI",
          "value": 10.14
        },
        {
          "type": "Completeness",
          "value": 96.3
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.01],
      "number_observations_unique": 4381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.3
        },
        {
          "type": "I/SigI",
          "value": 16.85
        },
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.24],
      "number_observations_unique": 3922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.2
        },
        {
          "type": "I/SigI",
          "value": 22.95
        },
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.58],
      "number_observations_unique": 3361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.6
        },
        {
          "type": "I/SigI",
          "value": 31.55
        },
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    }
  ]

}
  

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


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