Data quality metrics extracted from 7tsi.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": "bde9c0e354e49a37176c561d2cab9d68",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.924,
    "b": 151.386,
    "c": 107.476,
    "alpha": 90.00,
    "beta": 90.62,
    "gamma": 90.00
  },
  "wavelengths": [0.98450],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.1105,2.100],
    "number_observations_unique": 109241,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "R(meas)",
        "value": 0.206
      },
      {
        "type": "R(pim)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 3.800
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 4.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.140,2.100],
      "number_observations": 25060,
      "number_observations_unique": 5387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.533
        },
        {
          "type": "R(meas)",
          "value": 2.849
        },
        {
          "type": "R(pim)",
          "value": 1.294
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [49.100,11.500],
      "number_observations": 3379,
      "number_observations_unique": 690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 12.700
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 4.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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