Data quality metrics extracted from 6w2k.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": "8169260455625073aa9c81dae88893c5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.25,
    "b": 96.23,
    "c": 72.29,
    "alpha": 90.00,
    "beta": 99.36,
    "gamma": 90.00
  },
  "wavelengths": [1.07810],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.944,2.0],
    "number_observations_unique": 64577,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.0806
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 16.54
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.0],
      "number_observations_unique": 24019,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 4.46
        },
        {
          "type": "Completeness",
          "value": 95.0
        },
        {
          "type": "Redundancy",
          "value": 1.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.92
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.15],
      "number_observations_unique": 18023,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 17.7
        },
        {
          "type": "I/SigI",
          "value": 6.06
        },
        {
          "type": "Completeness",
          "value": 94.6
        },
        {
          "type": "Redundancy",
          "value": 1.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.30],
      "number_observations_unique": 5173,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.14
        },
        {
          "type": "I/SigI",
          "value": 6.9
        },
        {
          "type": "Completeness",
          "value": 94.6
        },
        {
          "type": "Redundancy",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.35],
      "number_observations_unique": 4664,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.14
        },
        {
          "type": "I/SigI",
          "value": 7.12
        },
        {
          "type": "Completeness",
          "value": 95.1
        },
        {
          "type": "Redundancy",
          "value": 1.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.40],
      "number_observations_unique": 4222,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 7.75
        },
        {
          "type": "Completeness",
          "value": 95.0
        },
        {
          "type": "Redundancy",
          "value": 1.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.45],
      "number_observations_unique": 3941,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 94.1
        },
        {
          "type": "Redundancy",
          "value": 1.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.5],
      "number_observations_unique": 9964,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 8.63
        },
        {
          "type": "Completeness",
          "value": 94.4
        },
        {
          "type": "Redundancy",
          "value": 1.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.65],
      "number_observations_unique": 5553,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 9.94
        },
        {
          "type": "Completeness",
          "value": 93.3
        },
        {
          "type": "Redundancy",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.75],
      "number_observations_unique": 4758,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 11.67
        },
        {
          "type": "Completeness",
          "value": 93.4
        },
        {
          "type": "Redundancy",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.85],
      "number_observations_unique": 5936,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 13.6
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.0],
      "number_observations_unique": 20085,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 20.08
        },
        {
          "type": "Completeness",
          "value": 90.3
        },
        {
          "type": "Redundancy",
          "value": 1.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.0,4.0],
      "number_observations_unique": 9940,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 29.81
        },
        {
          "type": "Completeness",
          "value": 86.8
        },
        {
          "type": "Redundancy",
          "value": 1.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [10.0,6.0],
      "number_observations_unique": 3284,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 28.79
        },
        {
          "type": "Completeness",
          "value": 87.3
        },
        {
          "type": "Redundancy",
          "value": 1.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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