Data quality metrics extracted from 5p6x.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": "e7946cf285fb13163f0e64e60e0661b6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.475,
    "b": 72.842,
    "c": 104.481,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.452,1.400],
    "number_observations": 500085,
    "number_observations_unique": 69244,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 21.480
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 7.222
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.480,1.400],
      "number_observations": 79566,
      "number_observations_unique": 10848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
        },
        {
          "type": "R(meas)",
          "value": 0.521
        },
        {
          "type": "I/SigI",
          "value": 4.020
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [1.580,1.480],
      "number_observations": 77148,
      "number_observations_unique": 10430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.321
        },
        {
          "type": "R(meas)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 6.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.580],
      "number_observations": 68487,
      "number_observations_unique": 9740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "R(meas)",
          "value": 0.231
        },
        {
          "type": "I/SigI",
          "value": 8.770
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [1.870,1.710],
      "number_observations": 67050,
      "number_observations_unique": 8977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 14.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.090,1.870],
      "number_observations": 61559,
      "number_observations_unique": 8173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 24.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.090],
      "number_observations": 50190,
      "number_observations_unique": 7239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 32.880
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.420],
      "number_observations": 44900,
      "number_observations_unique": 6173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 43.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.170,2.960],
      "number_observations": 33289,
      "number_observations_unique": 4852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 57.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [42.452,4.170],
      "number_observations": 17896,
      "number_observations_unique": 2812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 62.880
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.452 42.452 1.580
High resolution limit [Å] 1.400 4.170 1.480
R(merge) 0.0620 0.0250 0.3210
R(meas) 0.0670 0.0270 0.3450
CC(1/2) 0.999 0.999 0.951
Completeness [%] 99.6 99.5 100.0
Multiplicity 7.2 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
42.452-4.170 0.0250 0.0270 0.999 99.5
4.170-2.960 0.0280 0.0310 0.999 100.0
2.960-2.420 0.0390 0.0420 0.999 100.0
2.420-2.090 0.0520 0.0560 0.998 100.0
2.090-1.870 0.0720 0.0770 0.997 100.0
1.870-1.710 0.1260 0.1350 0.993 100.0
1.710-1.580 0.2140 0.2310 0.975 100.0
1.580-1.480 0.3210 0.3450 0.951 100.0
1.480-1.400 0.4840 0.5210 0.896 97.6