Data quality metrics extracted from 4qbr.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": "86113934c11a5a056f6897119901ba25",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.057,
    "b": 37.161,
    "c": 50.125,
    "alpha": 78.70,
    "beta": 83.89,
    "gamma": 81.56
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.9],
    "number_observations_unique": 19077,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.0
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.8
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [2.05,2.01],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [2.09,2.05],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.4
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.4
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.19],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.4
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.9
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.32],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.39],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.9
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.84],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [3.25,3.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [4.09,3.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [5.16,4.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.5
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    }
  ]

}
  

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


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