Data quality metrics extracted from 7xt3.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": "2816e98febd9f5d6dc9cea48fcba5d12",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.165,
    "b": 54.687,
    "c": 85.666,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.290,2.150],
    "number_observations": 106315,
    "number_observations_unique": 24694,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.150
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "I/SigI",
        "value": 7.670
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 4.305
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.280,2.150],
      "number_observations": 17636,
      "number_observations_unique": 4010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.789
        },
        {
          "type": "R(meas)",
          "value": 2.037
        },
        {
          "type": "I/SigI",
          "value": 0.810
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.398
        },
        {
          "type": "CC(1/2)",
          "value": 0.321
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.280],
      "number_observations": 16133,
      "number_observations_unique": 3706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.098
        },
        {
          "type": "R(meas)",
          "value": 1.253
        },
        {
          "type": "I/SigI",
          "value": 1.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.353
        },
        {
          "type": "CC(1/2)",
          "value": 0.519
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.440],
      "number_observations": 14493,
      "number_observations_unique": 3531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "R(meas)",
          "value": 0.826
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.674
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.640],
      "number_observations": 13822,
      "number_observations_unique": 3189,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.430
        },
        {
          "type": "R(meas)",
          "value": 0.491
        },
        {
          "type": "I/SigI",
          "value": 3.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.334
        },
        {
          "type": "CC(1/2)",
          "value": 0.863
        }
      ]
    },
    {
      "resolution_limits": [3.230,2.890],
      "number_observations": 12259,
      "number_observations_unique": 2905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "R(meas)",
          "value": 0.268
        },
        {
          "type": "I/SigI",
          "value": 6.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.220
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [3.720,3.230],
      "number_observations": 11421,
      "number_observations_unique": 2555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 11.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.470
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [4.550,3.720],
      "number_observations": 9305,
      "number_observations_unique": 2180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 20.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.268
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [6.400,4.550],
      "number_observations": 6976,
      "number_observations_unique": 1670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 22.710
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.177
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [43.290,6.400],
      "number_observations": 4270,
      "number_observations_unique": 948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 33.350
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.504
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.290 43.290 2.440
High resolution limit [Å] 2.150 6.400 2.280
R(merge) 0.1500 0.0350 1.0980
R(meas) 0.1720 0.0400 1.2530
CC(1/2) 0.995 0.999 0.519
Completeness [%] 99.9 99.3 99.9
Multiplicity 4.3 4.5 4.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.290-6.400 0.0350 0.0400 0.999 99.3 4.5
6.400-4.550 0.0530 0.0610 0.997 99.9 4.2
4.550-3.720 0.0620 0.0710 0.996 100.0 4.3
3.720-3.230 0.1180 0.1340 0.989 100.0 4.5
3.230-2.890 0.2340 0.2680 0.950 99.9 4.2
2.890-2.640 0.4300 0.4910 0.863 99.9 4.3
2.640-2.440 0.7170 0.8260 0.674 100.0 4.1
2.440-2.280 1.0980 1.2530 0.519 99.9 4.4
2.280-2.150 1.7890 2.0370 0.321 99.6 4.4