Data quality metrics extracted from 7sql.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": "6dbe81edb45fe8f92ab11a72602fef03",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 84.087,
    "b": 93.893,
    "c": 157.497,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.7,2.400],
    "number_observations_unique": 49319,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.233
      },
      {
        "type": "R(meas)",
        "value": 0.245
      },
      {
        "type": "R(pim)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 11.400
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 11.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.480,2.400],
      "number_observations": 50466,
      "number_observations_unique": 4499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.004
        },
        {
          "type": "R(meas)",
          "value": 3.163
        },
        {
          "type": "R(pim)",
          "value": 0.972
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 11.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.457
        }
      ]
    },
    {
      "resolution_limits": [39.670,9.600],
      "number_observations": 9930,
      "number_observations_unique": 870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 37.000
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 11.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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