Data quality metrics extracted from 4nmk.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": "5312beea8126064732071c32ccd01278",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 163.811,
    "b": 185.356,
    "c": 208.296,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.145,1.898],
    "number_observations_unique": 579728,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "Completeness",
        "value": 87.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.9193,1.898],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 22.0
        }
      ]
    },
    {
      "resolution_limits": [1.9419,1.9193],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 38.0
        }
      ]
    },
    {
      "resolution_limits": [1.9656,1.9419],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 44.0
        }
      ]
    },
    {
      "resolution_limits": [1.9905,1.9656],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 51.0
        }
      ]
    },
    {
      "resolution_limits": [2.0166,1.9905],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 59.0
        }
      ]
    },
    {
      "resolution_limits": [2.0443,2.0166],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 69.0
        }
      ]
    },
    {
      "resolution_limits": [2.0735,2.0443],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79.0
        }
      ]
    },
    {
      "resolution_limits": [2.1044,2.0735],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.0
        }
      ]
    },
    {
      "resolution_limits": [2.1373,2.1044],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.0
        }
      ]
    },
    {
      "resolution_limits": [2.1723,2.1373],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.0
        }
      ]
    },
    {
      "resolution_limits": [2.2098,2.1723],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [2.2499,2.2098],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.2932,2.2499],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.3400,2.2932],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.3908,2.3400],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.4464,2.3908],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.5076,2.4464],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.5753,2.5076],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.6511,2.5753],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.7366,2.6511],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.8343,2.7366],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.9477,2.8343],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.0817,2.9477],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.2440,3.0817],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.4470,3.2440],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.7126,3.4470],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.0854,3.7126],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [4.6746,4.0854],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [5.8819,4.6746],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [29.6329,5.8819],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    }
  ]

}
  

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


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