Data quality metrics extracted from 5p2j.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": "02c6d22e134316042aa99f246c757cd8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.268,
    "b": 73.317,
    "c": 52.801,
    "alpha": 90.00,
    "beta": 109.32,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.719,1.560],
    "number_observations": 193060,
    "number_observations_unique": 46280,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 13.130
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 4.171
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.560],
      "number_observations": 30187,
      "number_observations_unique": 7358,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.618
        },
        {
          "type": "R(meas)",
          "value": 0.711
        },
        {
          "type": "I/SigI",
          "value": 2.410
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.748
        }
      ]
    },
    {
      "resolution_limits": [1.770,1.650],
      "number_observations": 29325,
      "number_observations_unique": 7036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.495
        },
        {
          "type": "I/SigI",
          "value": 3.490
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.770],
      "number_observations": 27334,
      "number_observations_unique": 6537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 5.770
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    },
    {
      "resolution_limits": [2.090,1.910],
      "number_observations": 24855,
      "number_observations_unique": 6005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.164
        },
        {
          "type": "I/SigI",
          "value": 10.010
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.090],
      "number_observations": 22824,
      "number_observations_unique": 5456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 14.530
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.340],
      "number_observations": 20500,
      "number_observations_unique": 4835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 18.160
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.300,2.700],
      "number_observations": 17429,
      "number_observations_unique": 4095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 26.250
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.650,3.300],
      "number_observations": 13172,
      "number_observations_unique": 3169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 37.360
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [42.719,4.650],
      "number_observations": 7434,
      "number_observations_unique": 1789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 41.640
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.719 42.719 1.770
High resolution limit [Å] 1.560 4.650 1.650
R(merge) 0.0810 0.0280 0.4310
R(meas) 0.0930 0.0320 0.4950
CC(1/2) 0.998 0.999 0.854
Completeness [%] 99.5 98.9 99.7
Multiplicity 4.2 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
42.719-4.650 0.0280 0.0320 0.999 98.9
4.650-3.300 0.0320 0.0360 0.999 99.4
3.300-2.700 0.0470 0.0540 0.998 99.7
2.700-2.340 0.0730 0.0830 0.995 99.8
2.340-2.090 0.0940 0.1080 0.991 99.6
2.090-1.910 0.1430 0.1640 0.980 99.5
1.910-1.770 0.2560 0.2940 0.947 99.7
1.770-1.650 0.4310 0.4950 0.854 99.7
1.650-1.560 0.6180 0.7110 0.748 98.8