Data quality metrics extracted from 3csy.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": "88fb2e74ef34bd89a20155b445adee4d",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 273.71,
    "b": 273.71,
    "c": 409.43,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98030],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.370,3.400],
    "number_observations_unique": 151305,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 6.200
      },
      {
        "type": "Completeness",
        "value": 96.200
      },
      {
        "type": "Redundancy",
        "value": 4.140
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.52,3.40],
      "number_observations": 54223,
      "number_observations_unique": 14867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.568
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 94.70
        },
        {
          "type": "Redundancy",
          "value": 3.58
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.52],
      "number_observations": 56023,
      "number_observations_unique": 14943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.507
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 94.60
        },
        {
          "type": "Redundancy",
          "value": 3.64
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.66],
      "number_observations": 57498,
      "number_observations_unique": 14819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.458
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 94.60
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.83],
      "number_observations": 59051,
      "number_observations_unique": 14836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.389
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 94.20
        },
        {
          "type": "Redundancy",
          "value": 3.86
        }
      ]
    },
    {
      "resolution_limits": [4.28,4.03],
      "number_observations": 59880,
      "number_observations_unique": 14770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 94.00
        },
        {
          "type": "Redundancy",
          "value": 3.93
        }
      ]
    },
    {
      "resolution_limits": [4.61,4.28],
      "number_observations": 61267,
      "number_observations_unique": 15041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Completeness",
          "value": 95.60
        },
        {
          "type": "Redundancy",
          "value": 3.95
        }
      ]
    },
    {
      "resolution_limits": [5.08,4.61],
      "number_observations": 67624,
      "number_observations_unique": 15412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 98.00
        },
        {
          "type": "Redundancy",
          "value": 4.23
        }
      ]
    },
    {
      "resolution_limits": [5.81,5.08],
      "number_observations": 75917,
      "number_observations_unique": 15702,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 4.67
        }
      ]
    },
    {
      "resolution_limits": [7.32,5.81],
      "number_observations": 77102,
      "number_observations_unique": 15662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 8.9
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 4.78
        }
      ]
    },
    {
      "resolution_limits": [48.37,7.32],
      "number_observations": 76813,
      "number_observations_unique": 15253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 18.5
        },
        {
          "type": "Completeness",
          "value": 96.80
        },
        {
          "type": "Redundancy",
          "value": 4.90
        }
      ]
    }
  ]

}
  

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


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