Data quality metrics extracted from 3sx7.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": "d25d49e4e0d04df7459cd2acbe0e14ac",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.54,
    "b": 149.45,
    "c": 79.62,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.744,1.420],
    "number_observations_unique": 58371,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 22.1
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 4.070
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.470,1.420],
      "number_observations": 16314,
      "number_observations_unique": 5606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.295
        },
        {
          "type": "I/SigI",
          "value": 3.300
        },
        {
          "type": "Completeness",
          "value": 95.500
        },
        {
          "type": "Redundancy",
          "value": 2.900
        }
      ]
    },
    {
      "resolution_limits": [1.530,1.470],
      "number_observations": 19989,
      "number_observations_unique": 5876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.370
        }
      ]
    },
    {
      "resolution_limits": [1.600,1.530],
      "number_observations": 20829,
      "number_observations_unique": 5877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "I/SigI",
          "value": 4.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.520
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.600],
      "number_observations": 22043,
      "number_observations_unique": 5894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 6.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.710
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.680],
      "number_observations": 23688,
      "number_observations_unique": 5879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 7.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [1.930,1.790],
      "number_observations": 26250,
      "number_observations_unique": 5917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 11.400
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.410
        }
      ]
    },
    {
      "resolution_limits": [2.120,1.930],
      "number_observations": 26822,
      "number_observations_unique": 5893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 19.100
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 4.530
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.120],
      "number_observations": 27533,
      "number_observations_unique": 5850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 28.100
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 4.680
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.430],
      "number_observations": 28025,
      "number_observations_unique": 5830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 43.000
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 4.780
        }
      ]
    },
    {
      "resolution_limits": [19.900,3.060],
      "number_observations": 28151,
      "number_observations_unique": 5749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 69.800
        },
        {
          "type": "Completeness",
          "value": 92.700
        },
        {
          "type": "Redundancy",
          "value": 4.820
        }
      ]
    }
  ]

}
  

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


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