Data quality metrics extracted from 3tmm.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": "e0d717a725f84d171f6e23f82a501b1f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 68.438,
    "b": 81.911,
    "c": 161.254,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97864,0.91837,0.97898],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.192,2.5],
    "number_observations_unique": 15812,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 10.6
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [3.54,3.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.95,3.54],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [4.56,3.95],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [5.59,4.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.1
        }
      ]
    },
    {
      "resolution_limits": [7.91,5.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [25,7.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.9
        }
      ]
    }
  ]

}
  

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


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