Data quality metrics extracted from 5r3y.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": "005ca26007119d4884625b1b4a0af5c3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.223,
    "b": 72.837,
    "c": 52.619,
    "alpha": 90.00,
    "beta": 109.04,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.749,1.04],
    "number_observations_unique": 154475,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.800
      },
      {
        "type": "Completeness",
        "value": 99.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.10,1.04],
      "number_observations": 162427,
      "number_observations_unique": 25000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.854
        },
        {
          "type": "R(meas)",
          "value": 2.014
        },
        {
          "type": "I/SigI",
          "value": 0.69
        },
        {
          "type": "Completeness",
          "value": 0.987
        },
        {
          "type": "Redundancy",
          "value": 6.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.354
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.10],
      "number_observations": 158631,
      "number_observations_unique": 23471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.975
        },
        {
          "type": "R(meas)",
          "value": 1.056
        },
        {
          "type": "I/SigI",
          "value": 1.50
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.675
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.18],
      "number_observations": 149981,
      "number_observations_unique": 21857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.655
        },
        {
          "type": "R(meas)",
          "value": 0.709
        },
        {
          "type": "I/SigI",
          "value": 2.40
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.823
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.27],
      "number_observations": 138982,
      "number_observations_unique": 20161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "R(meas)",
          "value": 0.453
        },
        {
          "type": "I/SigI",
          "value": 3.88
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.39],
      "number_observations": 125560,
      "number_observations_unique": 18247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "R(meas)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 6.98
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.56],
      "number_observations": 110973,
      "number_observations_unique": 16085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 11.95
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.20,1.80],
      "number_observations": 97114,
      "number_observations_unique": 13663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 19.91
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 7.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.20],
      "number_observations": 74033,
      "number_observations_unique": 10551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 24.85
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.11],
      "number_observations": 41573,
      "number_observations_unique": 5920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 28.72
        },
        {
          "type": "Completeness",
          "value": 0.996
        },
        {
          "type": "Redundancy",
          "value": 7.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.749 50.000 1.180
High resolution limit [Å] 1.040 3.110 1.100
R(merge) - 0.0670 0.9750
R(meas) - 0.0720 1.0560
CC(1/2) - 0.995 0.675
Completeness [%] 99.7 1.0 1.0
Multiplicity - 7.0 6.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-3.110 0.0670 0.0720 0.995 1.0 7.0
3.110-2.200 0.0720 0.0780 0.995 1.0 7.0
2.200-1.800 0.0850 0.0920 0.995 1.0 7.1
1.800-1.560 0.1360 0.1480 0.989 1.0 6.9
1.560-1.390 0.2280 0.2460 0.977 1.0 6.9
1.390-1.270 0.4190 0.4530 0.924 1.0 6.9
1.270-1.180 0.6550 0.7090 0.823 1.0 6.9
1.180-1.100 0.9750 1.0560 0.675 1.0 6.8
1.100-1.040 1.8540 2.0140 0.354 1.0 6.5