Data quality metrics extracted from 6t1f.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": "41353cf4ebbb225c8cba1997210ab211",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.250,
    "b": 172.928,
    "c": 72.852,
    "alpha": 90.00,
    "beta": 90.54,
    "gamma": 90.00
  },
  "wavelengths": [0.91600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [172.930,2.900],
    "number_observations": 198135,
    "number_observations_unique": 29654,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.135
      },
      {
        "type": "R(meas)",
        "value": 0.146
      },
      {
        "type": "R(pim)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 8.700
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 6.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.080,2.900],
      "number_observations": 33888,
      "number_observations_unique": 4775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.526
        },
        {
          "type": "R(meas)",
          "value": 1.646
        },
        {
          "type": "R(pim)",
          "value": 0.614
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.677
        }
      ]
    },
    {
      "resolution_limits": [172.930,8.700],
      "number_observations": 6755,
      "number_observations_unique": 1130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 26.500
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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