Data quality metrics extracted from 3tm3.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": "fbf8b7be83f14432e26a39ab4a4c644d",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 75.156,
    "b": 99.013,
    "c": 41.015,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.2,1.7],
    "number_observations_unique": 32704,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0548
      },
      {
        "type": "I/SigI",
        "value": 10.21
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 3.05
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.761,1.700],
      "number_observations_unique": 3289,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5288
        },
        {
          "type": "I/SigI",
          "value": 1.237
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 3.04
        }
      ]
    },
    {
      "resolution_limits": [1.831,1.761],
      "number_observations_unique": 3255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4330
        },
        {
          "type": "I/SigI",
          "value": 1.626
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 3.05
        }
      ]
    },
    {
      "resolution_limits": [32.1,3.6625],
      "number_observations_unique": 3234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0265
        },
        {
          "type": "I/SigI",
          "value": 31.7
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 2.87
        }
      ]
    }
  ]

}
  

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


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