Data quality metrics extracted from 4hpk.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": "32e9264dbafe756b49cb332621c22962",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.866,
    "b": 59.170,
    "c": 48.800,
    "alpha": 90.00,
    "beta": 100.77,
    "gamma": 90.00
  },
  "wavelengths": [0.98045],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [16.61,1.35],
    "number_observations_unique": 50130,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "Completeness",
        "value": 89.8
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.40,1.35],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 3.2
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.40],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 4.1
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.45],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 4.6
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 4.7
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 4.8
        }
      ]
    }
  ]

}
  

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


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