Data quality metrics extracted from 4qip.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": "e73c536fc8eaad15bcf1ae6416252cb0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.71,
    "b": 55.59,
    "c": 37.91,
    "alpha": 90.00,
    "beta": 93.71,
    "gamma": 90.00
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.83,1.78],
    "number_observations_unique": 13028,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 8.1240
      },
      {
        "type": "Completeness",
        "value": 98.99
      },
      {
        "type": "Redundancy",
        "value": 3.38
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.78],
      "number_observations": 5793,
      "number_observations_unique": 1853,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "Completeness",
          "value": 97.12
        },
        {
          "type": "Redundancy",
          "value": 3.13
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.87],
      "number_observations": 5985,
      "number_observations_unique": 1787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "Completeness",
          "value": 98.07
        },
        {
          "type": "Redundancy",
          "value": 3.35
        }
      ]
    },
    {
      "resolution_limits": [2.12,1.99],
      "number_observations": 5710,
      "number_observations_unique": 1669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "Completeness",
          "value": 99.24
        },
        {
          "type": "Redundancy",
          "value": 3.42
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.12],
      "number_observations": 5376,
      "number_observations_unique": 1575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "Completeness",
          "value": 98.85
        },
        {
          "type": "Redundancy",
          "value": 3.41
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.29],
      "number_observations": 5192,
      "number_observations_unique": 1459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 3.56
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.51],
      "number_observations": 4638,
      "number_observations_unique": 1322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.51
        }
      ]
    },
    {
      "resolution_limits": [3.24,2.81],
      "number_observations": 4050,
      "number_observations_unique": 1173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 99.69
        },
        {
          "type": "Redundancy",
          "value": 3.45
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.24],
      "number_observations": 3308,
      "number_observations_unique": 983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 99.84
        },
        {
          "type": "Redundancy",
          "value": 3.37
        }
      ]
    },
    {
      "resolution_limits": [5.62,3.97],
      "number_observations": 2432,
      "number_observations_unique": 774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.87
        },
        {
          "type": "Redundancy",
          "value": 3.14
        }
      ]
    },
    {
      "resolution_limits": [37.83,5.62],
      "number_observations": 1525,
      "number_observations_unique": 433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.83
        },
        {
          "type": "Redundancy",
          "value": 3.52
        }
      ]
    }
  ]

}
  

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


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