Data quality metrics extracted from 4u52.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.2",
  "uuid": "4d624ac04cc7537b8492da8784720716",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
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    "b": 286.22,
    "c": 303.33,
    "alpha": 90.00,
    "beta": 98.97,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 1459484,
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        "value": 0.273
      },
      {
        "type": "R(meas)",
        "value": 0.285
      },
      {
        "type": "I/SigI",
        "value": 8.750
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 10.40
      }
    ]
  },
  "refln_shells": [
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          "value": 2.240
        },
        {
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        {
          "type": "I/SigI",
          "value": 1.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
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    {
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      "number_observations_unique": 119783,
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          "value": 1.508
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
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        }
      ]
    },
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        {
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    {
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        {
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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      ]
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    {
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      "number_observations_unique": 83357,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 3.640
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
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      "number_observations_unique": 74350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "R(meas)",
          "value": 0.626
        },
        {
          "type": "I/SigI",
          "value": 4.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.600],
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      "number_observations_unique": 66567,
      "quality_factors": [
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          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.524
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        {
          "type": "I/SigI",
          "value": 5.280
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 59709,
      "quality_factors": [
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        },
        {
          "type": "R(meas)",
          "value": 0.440
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        {
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          "value": 6.140
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        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [3.900,3.800],
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      "number_observations_unique": 53759,
      "quality_factors": [
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          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.374
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        {
          "type": "I/SigI",
          "value": 7.060
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 48561,
      "quality_factors": [
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          "value": 0.316
        },
        {
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        {
          "type": "I/SigI",
          "value": 7.940
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "quality_factors": [
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        {
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        {
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          "value": 100.000
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      ]
    },
    {
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      "number_observations_unique": 127017,
      "quality_factors": [
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          "value": 0.212
        },
        {
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
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      "quality_factors": [
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          "value": 0.168
        },
        {
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        {
          "type": "I/SigI",
          "value": 13.270
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        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
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      "number_observations_unique": 238993,
      "quality_factors": [
        {
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          "value": 0.127
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 16.930
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        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [9.000,8.000],
      "number_observations": 583778,
      "number_observations_unique": 23047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "R(meas)",
          "value": 0.285
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        {
          "type": "I/SigI",
          "value": 23.970
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
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      "quality_factors": [
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          "value": 0.214
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        {
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          "type": "I/SigI",
          "value": 27.320
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        {
          "type": "Completeness",
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    {
      "resolution_limits": [50.000,10.000],
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      "number_observations_unique": 39793,
      "quality_factors": [
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        {
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      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
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      ]
    },
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      "quality_factors": [
        {
          "type": "R(merge)",
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        },
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          "value": 0.900
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 85.700
        }
      ]
    }
  ]

}
  

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


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