Data quality metrics extracted from 4nnl.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": "b47da082738f96710336509a56890077",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 26.898,
    "b": 33.574,
    "c": 66.805,
    "alpha": 100.07,
    "beta": 92.90,
    "gamma": 90.02
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.557,1.5],
    "number_observations_unique": 35086,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.5],
      "number_observations_unique": 7560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 5.26
        },
        {
          "type": "Completeness",
          "value": 93.5
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.62],
      "number_observations_unique": 6860,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 18.3
        },
        {
          "type": "I/SigI",
          "value": 8.13
        },
        {
          "type": "Completeness",
          "value": 94.6
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.77],
      "number_observations_unique": 6424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 11.4
        },
        {
          "type": "I/SigI",
          "value": 11.89
        },
        {
          "type": "Completeness",
          "value": 95.3
        }
      ]
    },
    {
      "resolution_limits": [2.27,1.98],
      "number_observations_unique": 5502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.3
        },
        {
          "type": "I/SigI",
          "value": 16.79
        },
        {
          "type": "Completeness",
          "value": 95.9
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.28],
      "number_observations_unique": 4706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.7
        },
        {
          "type": "I/SigI",
          "value": 20.27
        },
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    },
    {
      "resolution_limits": [3.88,2.78],
      "number_observations_unique": 3673,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.9
        },
        {
          "type": "I/SigI",
          "value": 23.23
        },
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 19.557 3.880 1.760
High resolution limit [Å] 1.500 2.780 1.620
R(merge) - 4.9000 18.3000
Completeness [%] 95.3 97.2 94.6


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

Resolution [Å] R(merge) Completeness [%]
3.880-2.780 4.9000 97.2
2.770-2.280 5.7000 96.7
2.270-1.980 7.3000 95.9
1.970-1.770 11.4000 95.3
1.760-1.620 18.3000 94.6
1.610-1.500 0.2990 93.5