Data quality metrics extracted from 4pri.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": "2b9edc0a8d6110dac400c8ec560ba0d5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.58,
    "b": 62.38,
    "c": 100.46,
    "alpha": 98.17,
    "beta": 94.59,
    "gamma": 109.12
  },
  "wavelengths": [0.98400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.7,2.400],
    "number_observations_unique": 73467,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 10.770
      },
      {
        "type": "Completeness",
        "value": 93.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.500,2.400],
      "number_observations": 16985,
      "number_observations_unique": 8684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "I/SigI",
          "value": 2.690
        },
        {
          "type": "Completeness",
          "value": 96.200
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.500],
      "number_observations": 14598,
      "number_observations_unique": 7442,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "I/SigI",
          "value": 3.270
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.600],
      "number_observations": 11731,
      "number_observations_unique": 6104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 4.050
        },
        {
          "type": "Completeness",
          "value": 93.500
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.700],
      "number_observations": 10899,
      "number_observations_unique": 5536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "I/SigI",
          "value": 4.590
        },
        {
          "type": "Completeness",
          "value": 96.500
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.800],
      "number_observations": 9347,
      "number_observations_unique": 4748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 5.480
        },
        {
          "type": "Completeness",
          "value": 96.900
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.900],
      "number_observations": 8340,
      "number_observations_unique": 4230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 6.890
        },
        {
          "type": "Completeness",
          "value": 97.100
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.000],
      "number_observations": 26406,
      "number_observations_unique": 13686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 10.410
        },
        {
          "type": "Completeness",
          "value": 92.100
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.500],
      "number_observations": 11982,
      "number_observations_unique": 6643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 15.840
        },
        {
          "type": "Completeness",
          "value": 79.600
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 15720,
      "number_observations_unique": 8026,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 23.190
        },
        {
          "type": "Completeness",
          "value": 97.000
        }
      ]
    },
    {
      "resolution_limits": [6.000,5.000],
      "number_observations": 6848,
      "number_observations_unique": 3526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 21.780
        },
        {
          "type": "Completeness",
          "value": 97.400
        }
      ]
    },
    {
      "resolution_limits": [10.000,6.000],
      "number_observations": 7400,
      "number_observations_unique": 3823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 24.040
        },
        {
          "type": "Completeness",
          "value": 96.500
        }
      ]
    },
    {
      "resolution_limits": [41.7,10.000],
      "number_observations": 1933,
      "number_observations_unique": 1019,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 34.910
        },
        {
          "type": "Completeness",
          "value": 93.100
        }
      ]
    }
  ]

}
  

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


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