Data quality metrics extracted from 5p7y.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": "c94d2cecd845cd52d7ec27cd5dc27755",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.344,
    "b": 73.116,
    "c": 52.818,
    "alpha": 90.0,
    "beta": 109.5,
    "gamma": 90.0
  },
  "wavelengths": [0.89500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.743,1.650],
    "number_observations": 161703,
    "number_observations_unique": 38522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.100
      },
      {
        "type": "R(meas)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 10.820
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 4.197
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.750,1.650],
      "number_observations": 25032,
      "number_observations_unique": 6046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.610
        },
        {
          "type": "R(meas)",
          "value": 0.699
        },
        {
          "type": "I/SigI",
          "value": 2.580
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.750],
      "number_observations": 24577,
      "number_observations_unique": 5857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.381
        },
        {
          "type": "R(meas)",
          "value": 0.436
        },
        {
          "type": "I/SigI",
          "value": 4.060
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [2.030,1.880],
      "number_observations": 22849,
      "number_observations_unique": 5442,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 6.660
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.030],
      "number_observations": 21300,
      "number_observations_unique": 5052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 9.690
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.220],
      "number_observations": 19207,
      "number_observations_unique": 4543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 11.710
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.860,2.480],
      "number_observations": 17128,
      "number_observations_unique": 4041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 15.070
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.500,2.860],
      "number_observations": 14371,
      "number_observations_unique": 3400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 20.600
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.930,3.500],
      "number_observations": 11180,
      "number_observations_unique": 2645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 26.090
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [42.743,4.930],
      "number_observations": 6059,
      "number_observations_unique": 1496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 26.100
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.743 42.743 1.880
High resolution limit [Å] 1.650 4.930 1.750
R(merge) 0.1000 0.0490 0.3810
R(meas) 0.1140 0.0570 0.4360
CC(1/2) 0.996 0.994 0.894
Completeness [%] 99.1 98.2 99.8
Multiplicity 4.2 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
42.743-4.930 0.0490 0.0570 0.994 98.2
4.930-3.500 0.0430 0.0490 0.997 99.7
3.500-2.860 0.0570 0.0650 0.996 99.3
2.860-2.480 0.0820 0.0940 0.993 99.8
2.480-2.220 0.1130 0.1290 0.988 99.6
2.220-2.030 0.1440 0.1650 0.982 99.7
2.030-1.880 0.2260 0.2580 0.961 99.7
1.880-1.750 0.3810 0.4360 0.894 99.8
1.750-1.650 0.6100 0.6990 0.769 96.5