Data quality metrics extracted from 6txe.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": "a646b188bef2bc9659ded4c5bc67cbeb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 97.482,
    "b": 172.232,
    "c": 275.271,
    "alpha": 90.00,
    "beta": 95.31,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.364,3.186],
    "number_observations_unique": 80315,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.433
      },
      {
        "type": "R(meas)",
        "value": 0.467
      },
      {
        "type": "R(pim)",
        "value": 0.175
      },
      {
        "type": "I/SigI",
        "value": 4.7
      },
      {
        "type": "Completeness",
        "value": 91.364
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.960
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.630,3.186],
      "number_observations_unique": 4016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.161
        },
        {
          "type": "R(meas)",
          "value": 1.257
        },
        {
          "type": "R(pim)",
          "value": 0.476
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 76.2
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.668
        }
      ]
    },
    {
      "resolution_limits": [91.364,10.672],
      "number_observations_unique": 4014,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 16.1
        },
        {
          "type": "Completeness",
          "value": 96.7
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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