Data quality metrics extracted from 3tm9.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": "93609ff679270010f8bdabc407691760",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 85.194,
    "b": 46.426,
    "c": 62.873,
    "alpha": 90.00,
    "beta": 128.84,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.5,1.8],
    "number_observations_unique": 20497,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0707
      },
      {
        "type": "I/SigI",
        "value": 11.002
      },
      {
        "type": "Completeness",
        "value": 88.3
      },
      {
        "type": "Redundancy",
        "value": 3.30
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.800],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4537
        },
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "Completeness",
          "value": 47.8
        },
        {
          "type": "Redundancy",
          "value": 1.67
        }
      ]
    },
    {
      "resolution_limits": [1.939,1.864],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3794
        },
        {
          "type": "I/SigI",
          "value": 2.09
        },
        {
          "type": "Completeness",
          "value": 61.9
        },
        {
          "type": "Redundancy",
          "value": 2.19
        }
      ]
    },
    {
      "resolution_limits": [32.5,3.878],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0312
        },
        {
          "type": "I/SigI",
          "value": 29.44
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 3.58
        }
      ]
    }
  ]

}
  

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


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