Data quality metrics extracted from 4r53.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": "f6bfed5873ff81fe168706a59ced9686",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.22,
    "b": 97.56,
    "c": 82.40,
    "alpha": 90.00,
    "beta": 109.47,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47,2.0],
    "number_observations_unique": 77665,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.245
      },
      {
        "type": "I/SigI",
        "value": 4.460
      },
      {
        "type": "Completeness",
        "value": 84.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.630,1.530],
      "number_observations": 23375,
      "number_observations_unique": 11423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 0.150
        },
        {
          "type": "Completeness",
          "value": 41.400
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.630],
      "number_observations": 43691,
      "number_observations_unique": 17645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 0.290
        },
        {
          "type": "Completeness",
          "value": 67.700
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.740],
      "number_observations": 74844,
      "number_observations_unique": 22509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 0.570
        },
        {
          "type": "Completeness",
          "value": 92.900
        }
      ]
    },
    {
      "resolution_limits": [2.060,1.880],
      "number_observations": 90261,
      "number_observations_unique": 22262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 1.250
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.060],
      "number_observations": 83124,
      "number_observations_unique": 20140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 2.780
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.300],
      "number_observations": 74964,
      "number_observations_unique": 17843,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 4.760
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.250,2.650],
      "number_observations": 63464,
      "number_observations_unique": 15059,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 8.440
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.580,3.250],
      "number_observations": 49301,
      "number_observations_unique": 11734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 16.360
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    }
  ]

}
  

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


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