Data quality metrics extracted from 8ys1.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": "baf9cfbb6852c189f3f52e78ab5774ac",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 30.64,
    "b": 74.30,
    "c": 53.95,
    "alpha": 90.00,
    "beta": 101.68,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.11],
    "number_observations_unique": 13638,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09699999999999999
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 14.07
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.75
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.11],
      "number_observations_unique": 2204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.672
        },
        {
          "type": "R(meas)",
          "value": 0.787
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.24],
      "number_observations_unique": 2005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.46299999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.542
        },
        {
          "type": "CC(1/2)",
          "value": 0.8440000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.39],
      "number_observations_unique": 1180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "R(meas)",
          "value": 0.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.50],
      "number_observations_unique": 3457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.23399999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.00],
      "number_observations_unique": 2745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.0,4.00],
      "number_observations_unique": 1429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026000000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,6.00],
      "number_observations_unique": 618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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