Data quality metrics extracted from 5p3a.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": "c4a66a7a89f34302a249fff62a60863a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.271,
    "b": 73.387,
    "c": 52.723,
    "alpha": 90.00,
    "beta": 109.22,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.748,1.180],
    "number_observations": 360358,
    "number_observations_unique": 102585,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.040
      },
      {
        "type": "R(meas)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 16.120
      },
      {
        "type": "Completeness",
        "value": 95.400
      },
      {
        "type": "Redundancy",
        "value": 3.512
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.250,1.180],
      "number_observations": 30550,
      "number_observations_unique": 13022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        },
        {
          "type": "R(meas)",
          "value": 0.440
        },
        {
          "type": "I/SigI",
          "value": 2.330
        },
        {
          "type": "Completeness",
          "value": 75.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.812
        }
      ]
    },
    {
      "resolution_limits": [1.330,1.250],
      "number_observations": 54439,
      "number_observations_unique": 15958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.319
        },
        {
          "type": "I/SigI",
          "value": 4.020
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    },
    {
      "resolution_limits": [1.440,1.330],
      "number_observations": 54758,
      "number_observations_unique": 15038,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 6.460
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [1.580,1.440],
      "number_observations": 52724,
      "number_observations_unique": 13902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 10.170
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.580],
      "number_observations": 46693,
      "number_observations_unique": 12634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 14.930
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.760],
      "number_observations": 43233,
      "number_observations_unique": 11172,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 24.120
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.040],
      "number_observations": 35411,
      "number_observations_unique": 9443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 34.020
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.520,2.490],
      "number_observations": 27112,
      "number_observations_unique": 7313,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 43.230
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [42.748,3.520],
      "number_observations": 15437,
      "number_observations_unique": 4102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 54.790
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.748 42.748 1.330
High resolution limit [Å] 1.180 3.520 1.250
R(merge) 0.0400 0.0210 0.2680
R(meas) 0.0470 0.0250 0.3190
CC(1/2) 0.999 0.999 0.913
Completeness [%] 95.4 99.4 97.9
Multiplicity 3.5 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
42.748-3.520 0.0210 0.0250 0.999 99.4
3.520-2.490 0.0260 0.0310 0.999 99.6
2.490-2.040 0.0330 0.0390 0.998 99.7
2.040-1.760 0.0450 0.0530 0.997 99.8
1.760-1.580 0.0710 0.0830 0.993 99.7
1.580-1.440 0.1100 0.1290 0.984 99.5
1.440-1.330 0.1740 0.2040 0.962 99.2
1.330-1.250 0.2680 0.3190 0.913 97.9
1.250-1.180 0.3430 0.4400 0.812 75.1