Data quality metrics extracted from 5qyk.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": "64b0e59728ef73be2406a39a883783d1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.336,
    "b": 81.876,
    "c": 93.630,
    "alpha": 90.00,
    "beta": 108.56,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.750,1.63],
    "number_observations": 547190,
    "number_observations_unique": 75795,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.050
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 14.730
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 6.850
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.72,1.63],
      "number_observations": 83441,
      "number_observations_unique": 12959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.382
        },
        {
          "type": "R(meas)",
          "value": 2.584
        },
        {
          "type": "I/SigI",
          "value": 0.62
        },
        {
          "type": "Completeness",
          "value": 0.965
        },
        {
          "type": "Redundancy",
          "value": 6.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.72],
      "number_observations": 83563,
      "number_observations_unique": 12175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.148
        },
        {
          "type": "R(meas)",
          "value": 1.243
        },
        {
          "type": "I/SigI",
          "value": 1.45
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.721
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.84],
      "number_observations": 77235,
      "number_observations_unique": 11315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "R(meas)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 3.53
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [2.18,1.99],
      "number_observations": 70391,
      "number_observations_unique": 10465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.212
        },
        {
          "type": "R(meas)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 8.00
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.18],
      "number_observations": 66819,
      "number_observations_unique": 9447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 15.21
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.44],
      "number_observations": 58327,
      "number_observations_unique": 8359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 23.85
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.44,2.81],
      "number_observations": 48264,
      "number_observations_unique": 7092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 36.06
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.85,3.44],
      "number_observations": 37876,
      "number_observations_unique": 5497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 49.14
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.85],
      "number_observations": 21274,
      "number_observations_unique": 3128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 51.47
        },
        {
          "type": "Completeness",
          "value": 0.993
        },
        {
          "type": "Redundancy",
          "value": 6.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.750 50.000 1.840
High resolution limit [Å] 1.630 4.850 1.720
R(merge) 0.0500 0.0310 1.1480
R(meas) 0.0550 0.0340 1.2430
CC(1/2) 0.999 0.999 0.721
Completeness [%] 99.3 1.0 1.0
Multiplicity 6.9 6.8 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-4.850 0.0310 0.0340 0.999 1.0 6.8
4.850-3.440 0.0340 0.0370 0.999 1.0 6.9
3.440-2.810 0.0450 0.0490 0.999 1.0 6.8
2.810-2.440 0.0710 0.0760 0.997 1.0 7.0
2.440-2.180 0.1120 0.1220 0.994 1.0 8.1
2.180-1.990 0.2120 0.2300 0.983 1.0 6.7
1.990-1.840 0.4850 0.5260 0.936 1.0 6.8
1.840-1.720 1.1480 1.2430 0.721 1.0 6.9
1.720-1.630 2.3820 2.5840 0.355 1.0 6.4