Data quality metrics extracted from 3ckm.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": "6b07c04e15de555ad283f483b9478a1a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 109.907,
    "b": 50.644,
    "c": 63.676,
    "alpha": 90.00,
    "beta": 106.73,
    "gamma": 90.00
  },
  "wavelengths": [0.97857,0.97843,0.96321],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.100,1.350],
    "number_observations_unique": 143557,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 12.200
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 3.140
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.40,1.35],
      "number_observations": 44648,
      "number_observations_unique": 14456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 3.10
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.40],
      "number_observations": 44712,
      "number_observations_unique": 14402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 3.11
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.45],
      "number_observations": 44741,
      "number_observations_unique": 14408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 3.11
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.52],
      "number_observations": 44933,
      "number_observations_unique": 14452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.10
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.60],
      "number_observations": 45320,
      "number_observations_unique": 14439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 6.1
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 3.13
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.70],
      "number_observations": 45960,
      "number_observations_unique": 14481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 8.3
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 3.16
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.83],
      "number_observations": 46058,
      "number_observations_unique": 14418,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 11.7
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 3.18
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.02],
      "number_observations": 46279,
      "number_observations_unique": 14399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 18.4
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.19
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.31],
      "number_observations": 47065,
      "number_observations_unique": 14466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 24.0
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.22
        }
      ]
    },
    {
      "resolution_limits": [47.10,2.91],
      "number_observations": 44744,
      "number_observations_unique": 14441,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 38.7
        },
        {
          "type": "Completeness",
          "value": 96.9
        },
        {
          "type": "Redundancy",
          "value": 3.10
        }
      ]
    }
  ]

}
  

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


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