Data quality metrics extracted from 4r0w.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": "695515a15cba7f011fc221ab3f935e76",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 50.367,
    "b": 4.823,
    "c": 15.692,
    "alpha": 90.00,
    "beta": 107.89,
    "gamma": 90.00
  },
  "wavelengths": [0.89543],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.000,1.500],
    "number_observations_unique": 650,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 93.900
      },
      {
        "type": "Redundancy",
        "value": 3.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.620,1.500],
      "number_observations_unique": 121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 88.300
        },
        {
          "type": "Redundancy",
          "value": 2.300
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.620],
      "number_observations_unique": 106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.491
        },
        {
          "type": "Completeness",
          "value": 85.500
        },
        {
          "type": "Redundancy",
          "value": 2.100
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.780],
      "number_observations_unique": 128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.400
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.040],
      "number_observations_unique": 144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 3.900
        }
      ]
    },
    {
      "resolution_limits": [90.000,2.560],
      "number_observations_unique": 151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    }
  ]

}
  

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


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