Data quality metrics extracted from 7ptg.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": "f588ab6328ed235d61472d13c48be8f0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.572,
    "b": 47.865,
    "c": 75.287,
    "alpha": 90.00,
    "beta": 93.46,
    "gamma": 90.00
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.860,2.200],
    "number_observations_unique": 19239,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.219
      },
      {
        "type": "R(meas)",
        "value": 0.237
      },
      {
        "type": "R(pim)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 5.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.270,2.200],
      "number_observations": 10689,
      "number_observations_unique": 1638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.193
        },
        {
          "type": "R(meas)",
          "value": 1.296
        },
        {
          "type": "R(pim)",
          "value": 0.502
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.646
        }
      ]
    },
    {
      "resolution_limits": [41.860,9.070],
      "number_observations": 1813,
      "number_observations_unique": 301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "R(pim)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 17.000
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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