Data quality metrics extracted from 4ks6.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": "d2eade8a944a0a80db434c7b249b99b2",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 65.634,
    "b": 65.634,
    "c": 201.725,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.79],
    "number_observations_unique": 42323,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.377
      },
      {
        "type": "I/SigI",
        "value": 9.79
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 15.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.79],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.886
        },
        {
          "type": "I/SigI",
          "value": 0.86
        },
        {
          "type": "Completeness",
          "value": 94.9
        },
        {
          "type": "Redundancy",
          "value": 15.42
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.644
        },
        {
          "type": "I/SigI",
          "value": 1.65
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.94
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.03],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.586
        },
        {
          "type": "I/SigI",
          "value": 2.84
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.79
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.19],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.120
        },
        {
          "type": "I/SigI",
          "value": 5.03
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.80
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.794
        },
        {
          "type": "I/SigI",
          "value": 8.11
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.79
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.68],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "I/SigI",
          "value": 12.76
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.52
        }
      ]
    },
    {
      "resolution_limits": [3.79,3.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 22.08
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.76
        }
      ]
    },
    {
      "resolution_limits": [5.34,3.79],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 34.21
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.08
        }
      ]
    },
    {
      "resolution_limits": [50.,5.34],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 37.96
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 14.02
        }
      ]
    }
  ]

}
  

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


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