Data quality metrics extracted from 5p6b.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": "17556703002184c74622847a3494d536",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.402,
    "b": 73.145,
    "c": 52.869,
    "alpha": 90.00,
    "beta": 109.65,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.759,1.470],
    "number_observations": 121301,
    "number_observations_unique": 51878,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(meas)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 12.860
      },
      {
        "type": "Completeness",
        "value": 93.500
      },
      {
        "type": "Redundancy",
        "value": 2.338
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.560,1.470],
      "number_observations": 18910,
      "number_observations_unique": 8185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.277
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 3.520
        },
        {
          "type": "Completeness",
          "value": 91.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.560],
      "number_observations": 17538,
      "number_observations_unique": 7694,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 4.900
        },
        {
          "type": "Completeness",
          "value": 91.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.670],
      "number_observations": 16544,
      "number_observations_unique": 7277,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 7.190
        },
        {
          "type": "Completeness",
          "value": 93.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.800],
      "number_observations": 16810,
      "number_observations_unique": 6922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 11.230
        },
        {
          "type": "Completeness",
          "value": 95.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.200,1.970],
      "number_observations": 14846,
      "number_observations_unique": 6171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 15.870
        },
        {
          "type": "Completeness",
          "value": 94.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.200],
      "number_observations": 12076,
      "number_observations_unique": 5385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 18.060
        },
        {
          "type": "Completeness",
          "value": 93.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.110,2.540],
      "number_observations": 11427,
      "number_observations_unique": 4653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 23.570
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.390,3.110],
      "number_observations": 8303,
      "number_observations_unique": 3573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 28.660
        },
        {
          "type": "Completeness",
          "value": 93.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [42.759,4.390],
      "number_observations": 4847,
      "number_observations_unique": 2018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 31.460
        },
        {
          "type": "Completeness",
          "value": 93.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.759 42.759 1.670
High resolution limit [Å] 1.470 4.390 1.560
R(merge) 0.0490 0.0290 0.2020
R(meas) 0.0620 0.0370 0.2570
CC(1/2) 0.998 0.997 0.932
Completeness [%] 93.5 93.8 91.7
Multiplicity 2.3 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
42.759-4.390 0.0290 0.0370 0.997 93.8
4.390-3.110 0.0290 0.0370 0.997 93.7
3.110-2.540 0.0340 0.0430 0.996 95.3
2.540-2.200 0.0440 0.0560 0.995 93.4
2.200-1.970 0.0510 0.0640 0.994 94.8
1.970-1.800 0.0790 0.0980 0.987 95.5
1.800-1.670 0.1300 0.1650 0.965 93.2
1.670-1.560 0.2020 0.2570 0.932 91.7
1.560-1.470 0.2770 0.3500 0.888 91.7