Data quality metrics extracted from 3rtk.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": "7e3404d3c487f0a1f0e46c93def22209",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.19,
    "b": 111.98,
    "c": 77.28,
    "alpha": 90.0,
    "beta": 95.5,
    "gamma": 90.0
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.8],
    "number_observations_unique": 23832,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 17.28
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.87,2.8],
      "number_observations_unique": 3166,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 10.25
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.95],
      "number_observations_unique": 3319,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.69
        },
        {
          "type": "Completeness",
          "value": 14.5
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [3.23,3.13],
      "number_observations_unique": 3169,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.02
        },
        {
          "type": "Completeness",
          "value": 14
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.35],
      "number_observations_unique": 2927,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 12.6
        },
        {
          "type": "Completeness",
          "value": 12.9
        },
        {
          "type": "Redundancy",
          "value": 3.8
        }
      ]
    },
    {
      "resolution_limits": [3.78,3.62],
      "number_observations_unique": 2679,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 18.36
        },
        {
          "type": "Completeness",
          "value": 12
        },
        {
          "type": "Redundancy",
          "value": 3.78
        }
      ]
    },
    {
      "resolution_limits": [4.18,3.96],
      "number_observations_unique": 2449,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 26.98
        },
        {
          "type": "Completeness",
          "value": 10
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [4.74,4.43],
      "number_observations_unique": 2154,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 32.03
        },
        {
          "type": "Completeness",
          "value": 9.3
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [5.6,5.11],
      "number_observations_unique": 1833,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 32.57
        },
        {
          "type": "Completeness",
          "value": 7.87
        },
        {
          "type": "Redundancy",
          "value": 3.7
        }
      ]
    },
    {
      "resolution_limits": [7.23,6.26],
      "number_observations_unique": 1415,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 40.75
        },
        {
          "type": "Completeness",
          "value": 5.92
        },
        {
          "type": "Redundancy",
          "value": 3.62
        }
      ]
    },
    {
      "resolution_limits": [12.53,8.86],
      "number_observations_unique": 721,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 45.12
        },
        {
          "type": "Completeness",
          "value": 2.84
        },
        {
          "type": "Redundancy",
          "value": 3.42
        }
      ]
    }
  ]

}
  

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


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