Data quality metrics extracted from 3pmk.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": "e5d86a803d350ef1d08f067a82442192",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 74.56,
    "b": 171.97,
    "c": 239.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93340],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.97,3.03],
    "number_observations_unique": 54333,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 89.9
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.2,3.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 80.7
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.2],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82.7
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.39],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.4
        }
      ]
    },
    {
      "resolution_limits": [3.92,3.63],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.2
        }
      ]
    },
    {
      "resolution_limits": [4.29,3.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.2
        }
      ]
    },
    {
      "resolution_limits": [4.80,4.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.4
        }
      ]
    },
    {
      "resolution_limits": [5.54,4.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    },
    {
      "resolution_limits": [6.78,5.54],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [9.59,6.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [59.97,9.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    }
  ]

}
  

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


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