Data quality metrics extracted from 3snl.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": "030810f44e26df31f8d82d1aa3c4bace",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.445,
    "b": 80.945,
    "c": 157.789,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100,2.4],
    "number_observations_unique": 19291,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 73.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 14.6
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 17.0
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.49],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 23.7
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.53],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 30.4
        }
      ]
    },
    {
      "resolution_limits": [2.64,2.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 39.5
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 50.4
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 62.3
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.77],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 80.1
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.6
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    },
    {
      "resolution_limits": [3.13,3.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.13],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [3.41,3.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.41],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [3.81,3.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.81],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [4.52,4.10],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [6.51,5.17],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.0
        }
      ]
    },
    {
      "resolution_limits": [100,6.51],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.0
        }
      ]
    }
  ]

}
  

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


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