Data quality metrics extracted from 4lk8.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": "83ea062862d2ae9a530cdf7104d349f5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.891,
    "b": 50.564,
    "c": 46.310,
    "alpha": 90.00,
    "beta": 90.77,
    "gamma": 90.00
  },
  "wavelengths": [0.91907],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.425,1.494],
    "number_observations_unique": 53634,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 92.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 77.3
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.0
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.1
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.69],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.3
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.1
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.89],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.3
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.3
        }
      ]
    },
    {
      "resolution_limits": [2.56,2.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.3
        }
      ]
    },
    {
      "resolution_limits": [30.43,3.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.1
        }
      ]
    }
  ]

}
  

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


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