Data quality metrics extracted from 3rix.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": "22092e0b1e7e14229131a370b44d871d",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 83.738,
    "b": 83.738,
    "c": 96.913,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [96.91,1.70],
    "number_observations_unique": 73404,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 18.7544
      },
      {
        "type": "Completeness",
        "value": 99.99
      },
      {
        "type": "Redundancy",
        "value": 6.86
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "number_observations": 73364,
      "number_observations_unique": 10661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.86
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.88
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.79],
      "number_observations": 67779,
      "number_observations_unique": 10121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.51
        },
        {
          "type": "I/SigI",
          "value": 3.74
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.90],
      "number_observations": 67270,
      "number_observations_unique": 9515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "I/SigI",
          "value": 6.57
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.07
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.03],
      "number_observations": 60012,
      "number_observations_unique": 8837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 10.32
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.79
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.19],
      "number_observations": 56579,
      "number_observations_unique": 8157,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 15.54
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.94
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.40],
      "number_observations": 51964,
      "number_observations_unique": 7400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 21.46
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.02
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.69],
      "number_observations": 44002,
      "number_observations_unique": 6509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 31.21
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 6.76
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.10],
      "number_observations": 38351,
      "number_observations_unique": 5515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 48.06
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 6.95
        }
      ]
    },
    {
      "resolution_limits": [5.38,3.80],
      "number_observations": 28329,
      "number_observations_unique": 4298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 61.05
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 6.59
        }
      ]
    },
    {
      "resolution_limits": [96.91,5.38],
      "number_observations": 15694,
      "number_observations_unique": 2391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 60.47
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 6.56
        }
      ]
    }
  ]

}
  

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


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