Data quality metrics extracted from 3tq7.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": "2292d83a6203e48cc41574860d5cd8c1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.15,
    "b": 103.56,
    "c": 48.13,
    "alpha": 90.00,
    "beta": 113.64,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.095,2.3],
    "number_observations_unique": 15694,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 27.64
      },
      {
        "type": "Completeness",
        "value": 95.2
      },
      {
        "type": "Redundancy",
        "value": 13.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.30],
      "number_observations_unique": 1938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 42.0
        },
        {
          "type": "I/SigI",
          "value": 5.42
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 14.2
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.40],
      "number_observations_unique": 1629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 26.2
        },
        {
          "type": "I/SigI",
          "value": 8.22
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 14.1
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.50],
      "number_observations_unique": 3662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 15.6
        },
        {
          "type": "I/SigI",
          "value": 13.31
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 13.6
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.80],
      "number_observations_unique": 1700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.3
        },
        {
          "type": "I/SigI",
          "value": 22.03
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 13.3
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.00],
      "number_observations_unique": 3581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.5
        },
        {
          "type": "I/SigI",
          "value": 36.85
        },
        {
          "type": "Completeness",
          "value": 83.6
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    },
    {
      "resolution_limits": [20.00,4.00],
      "number_observations_unique": 3130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.6
        },
        {
          "type": "I/SigI",
          "value": 57.88
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 13.0
        }
      ]
    }
  ]

}
  

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


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