Data quality metrics extracted from 3piv.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": "0144fa4f1be775806dbb1ccb3dd4f914",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.834,
    "b": 62.247,
    "c": 51.306,
    "alpha": 90.00,
    "beta": 91.42,
    "gamma": 90.00
  },
  "wavelengths": [0.87420],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.290,2.086],
    "number_observations_unique": 18309,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.2171,2.0864],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 69
        }
      ]
    },
    {
      "resolution_limits": [2.3883,2.2171],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86
        }
      ]
    },
    {
      "resolution_limits": [2.6286,2.3883],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93
        }
      ]
    },
    {
      "resolution_limits": [3.0089,2.6286],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96
        }
      ]
    },
    {
      "resolution_limits": [3.7907,3.0089],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [48.8323,3.7907],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    }
  ]

}
  

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


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