Data quality metrics extracted from 4u55.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": "e5c66679d929efec253c427e24b43256",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 435.15,
    "b": 287.07,
    "c": 303.24,
    "alpha": 90.00,
    "beta": 98.87,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.87,3.200],
    "number_observations": 15126527,
    "number_observations_unique": 1206041,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.367
      },
      {
        "type": "R(meas)",
        "value": 0.381
      },
      {
        "type": "I/SigI",
        "value": 8.090
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 9.71
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 1031419,
      "number_observations_unique": 106176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.664
        },
        {
          "type": "R(meas)",
          "value": 2.807
        },
        {
          "type": "I/SigI",
          "value": 1.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 911508,
      "number_observations_unique": 93897,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.938
        },
        {
          "type": "R(meas)",
          "value": 2.043
        },
        {
          "type": "I/SigI",
          "value": 1.410
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 823518,
      "number_observations_unique": 83549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "R(meas)",
          "value": 1.592
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.500],
      "number_observations": 3631663,
      "number_observations_unique": 303708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.755
        },
        {
          "type": "R(meas)",
          "value": 0.788
        },
        {
          "type": "I/SigI",
          "value": 3.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 3672687,
      "number_observations_unique": 301123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "R(meas)",
          "value": 0.312
        },
        {
          "type": "I/SigI",
          "value": 8.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [6.000,5.000],
      "number_observations": 1646631,
      "number_observations_unique": 133344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(meas)",
          "value": 0.188
        },
        {
          "type": "I/SigI",
          "value": 13.530
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [7.000,6.000],
      "number_observations": 1131982,
      "number_observations_unique": 67959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.441
        },
        {
          "type": "R(meas)",
          "value": 0.453
        },
        {
          "type": "I/SigI",
          "value": 15.340
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.000,7.000],
      "number_observations": 765424,
      "number_observations_unique": 38217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.451
        },
        {
          "type": "R(meas)",
          "value": 0.462
        },
        {
          "type": "I/SigI",
          "value": 18.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.000,8.000],
      "number_observations": 449447,
      "number_observations_unique": 23111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.351
        },
        {
          "type": "R(meas)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 20.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,9.000],
      "number_observations": 298649,
      "number_observations_unique": 14796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "R(meas)",
          "value": 0.278
        },
        {
          "type": "I/SigI",
          "value": 23.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.000],
      "number_observations": 762521,
      "number_observations_unique": 39874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 27.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [99.87,50.000],
      "number_observations": 1078,
      "number_observations_unique": 287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 15.890
        },
        {
          "type": "Completeness",
          "value": 82.000
        }
      ]
    }
  ]

}
  

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


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