Data quality metrics extracted from 9f17.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": "3792f840b098e2181ca59db239fe5de4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.15,
    "b": 122.70,
    "c": 70.15,
    "alpha": 90.00,
    "beta": 113.36,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.420,1.600],
    "number_observations": 765952,
    "number_observations_unique": 143274,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.518
      },
      {
        "type": "R(meas)",
        "value": 0.563
      },
      {
        "type": "I/SigI",
        "value": 1.920
      },
      {
        "type": "Completeness",
        "value": 69.400
      },
      {
        "type": "Redundancy",
        "value": 5.346
      },
      {
        "type": "CC(1/2)",
        "value": 0.868
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.690,1.600],
      "number_observations": 11035,
      "number_observations_unique": 3107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.716
        },
        {
          "type": "R(meas)",
          "value": 2.028
        },
        {
          "type": "I/SigI",
          "value": 0.420
        },
        {
          "type": "Completeness",
          "value": 9.400
        },
        {
          "type": "Redundancy",
          "value": 3.552
        },
        {
          "type": "CC(1/2)",
          "value": 0.337
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.690],
      "number_observations": 34022,
      "number_observations_unique": 9923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.160
        },
        {
          "type": "R(meas)",
          "value": 1.378
        },
        {
          "type": "I/SigI",
          "value": 0.570
        },
        {
          "type": "Completeness",
          "value": 31.800
        },
        {
          "type": "Redundancy",
          "value": 3.429
        },
        {
          "type": "CC(1/2)",
          "value": 0.509
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.810],
      "number_observations": 73034,
      "number_observations_unique": 20000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.859
        },
        {
          "type": "R(meas)",
          "value": 1.008
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 68.700
        },
        {
          "type": "Redundancy",
          "value": 3.652
        },
        {
          "type": "CC(1/2)",
          "value": 0.551
        }
      ]
    },
    {
      "resolution_limits": [2.140,1.960],
      "number_observations": 106252,
      "number_observations_unique": 24608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.622
        },
        {
          "type": "R(meas)",
          "value": 0.705
        },
        {
          "type": "I/SigI",
          "value": 1.010
        },
        {
          "type": "Completeness",
          "value": 91.800
        },
        {
          "type": "Redundancy",
          "value": 4.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.140],
      "number_observations": 131130,
      "number_observations_unique": 24024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.645
        },
        {
          "type": "R(meas)",
          "value": 0.706
        },
        {
          "type": "I/SigI",
          "value": 1.490
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 5.458
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.390],
      "number_observations": 141422,
      "number_observations_unique": 21384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.632
        },
        {
          "type": "R(meas)",
          "value": 0.683
        },
        {
          "type": "I/SigI",
          "value": 2.210
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.613
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    },
    {
      "resolution_limits": [3.380,2.760],
      "number_observations": 122483,
      "number_observations_unique": 18173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.540
        },
        {
          "type": "R(meas)",
          "value": 0.583
        },
        {
          "type": "I/SigI",
          "value": 3.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.740
        },
        {
          "type": "CC(1/2)",
          "value": 0.789
        }
      ]
    },
    {
      "resolution_limits": [4.780,3.380],
      "number_observations": 95146,
      "number_observations_unique": 14124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "R(meas)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 3.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.736
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    },
    {
      "resolution_limits": [44.420,4.780],
      "number_observations": 51428,
      "number_observations_unique": 7931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        },
        {
          "type": "R(meas)",
          "value": 0.482
        },
        {
          "type": "I/SigI",
          "value": 4.310
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.484
        },
        {
          "type": "CC(1/2)",
          "value": 0.840
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.420 44.420 1.810
High resolution limit [Å] 1.600 4.780 1.690
R(merge) 0.5180 0.4440 1.1600
R(meas) 0.5630 0.4820 1.3780
CC(1/2) 0.868 0.840 0.509
Completeness [%] 69.4 99.9 31.8
Multiplicity 5.3 6.5 3.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
44.420-4.780 0.4440 0.4820 0.840 99.9 6.5
4.780-3.380 0.4850 0.5240 0.797 100.0 6.7
3.380-2.760 0.5400 0.5830 0.789 100.0 6.7
2.760-2.390 0.6320 0.6830 0.745 99.8 6.6
2.390-2.140 0.6450 0.7060 0.808 98.9 5.5
2.140-1.960 0.6220 0.7050 0.892 91.8 4.3
1.960-1.810 0.8590 1.0080 0.551 68.7 3.7
1.810-1.690 1.1600 1.3780 0.509 31.8 3.4
1.690-1.600 1.7160 2.0280 0.337 9.4 3.6