Data quality metrics extracted from 4tuc.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": "33a61050c496659659e293ca694434e9",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.353,
    "b": 450.715,
    "c": 622.271,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.600],
    "number_observations": 4402869,
    "number_observations_unique": 668775,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.287
      },
      {
        "type": "R(meas)",
        "value": 0.310
      },
      {
        "type": "I/SigI",
        "value": 7.290
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.700,3.600],
      "number_observations": 335217,
      "number_observations_unique": 52582,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.251
        },
        {
          "type": "R(meas)",
          "value": 1.353
        },
        {
          "type": "I/SigI",
          "value": 1.640
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.700],
      "number_observations": 305753,
      "number_observations_unique": 47303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.041
        },
        {
          "type": "R(meas)",
          "value": 1.125
        },
        {
          "type": "I/SigI",
          "value": 2.010
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.800],
      "number_observations": 525231,
      "number_observations_unique": 80941,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.840
        },
        {
          "type": "R(meas)",
          "value": 0.907
        },
        {
          "type": "I/SigI",
          "value": 2.610
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 1571229,
      "number_observations_unique": 237910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.481
        },
        {
          "type": "R(meas)",
          "value": 0.518
        },
        {
          "type": "I/SigI",
          "value": 4.750
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [10.000,5.000],
      "number_observations": 1464152,
      "number_observations_unique": 218626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 11.510
        },
        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
    },
    {
      "resolution_limits": [50,10.000],
      "number_observations": 201287,
      "number_observations_unique": 31413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 26.620
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    }
  ]

}
  

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


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