Data quality metrics extracted from 3tld.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": "cfb98d927fee5fad204028470287e0b8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.614,
    "b": 41.068,
    "c": 62.395,
    "alpha": 90.00,
    "beta": 105.58,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.5,1.77],
    "number_observations_unique": 27232,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0593
      },
      {
        "type": "I/SigI",
        "value": 16.44
      },
      {
        "type": "Completeness",
        "value": 92.8
      },
      {
        "type": "Redundancy",
        "value": 3.17
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8333,1.7700],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2382
        },
        {
          "type": "I/SigI",
          "value": 3.29
        },
        {
          "type": "Completeness",
          "value": 61.7
        },
        {
          "type": "Redundancy",
          "value": 1.49
        }
      ]
    },
    {
      "resolution_limits": [2.0985,1.9935],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1309
        },
        {
          "type": "I/SigI",
          "value": 7.31
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [31,3.81],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0450
        },
        {
          "type": "I/SigI",
          "value": 35.1
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 3.37
        }
      ]
    }
  ]

}
  

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


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