Data quality metrics extracted from 5m22.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": "c18ae72aff0511b8cf54d51411ddd3f4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.329,
    "b": 126.090,
    "c": 92.967,
    "alpha": 90.00,
    "beta": 105.02,
    "gamma": 90.00
  },
  "wavelengths": [0.87290],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.508,2.390],
    "number_observations_unique": 76541,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 6.830
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 1.97
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.530,2.390],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 1.620
        },
        {
          "type": "Completeness",
          "value": 95.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.660
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.530],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.771
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.710],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 3.440
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.920],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 5.010
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.200],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 7.880
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.580],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 11.300
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.040,4.130],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 15.010
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [7.090,5.040],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 13.620
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [47.508,7.090],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 19.030
        },
        {
          "type": "Completeness",
          "value": 93.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.508 47.508 2.710
High resolution limit [Å] 2.390 7.090 2.530
R(merge) 0.1070 0.0330 0.3850
CC(1/2) 0.987 0.996 0.771
Completeness [%] 97.0 93.9 97.7
Multiplicity 2.0 - -


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

Resolution [Å] R(merge) CC(1/2) Completeness [%]
47.508-7.090 0.0330 0.996 93.9
7.090-5.040 0.0490 0.992 96.6
5.040-4.130 0.0470 0.993 96.8
4.130-3.580 0.0660 0.988 97.7
3.580-3.200 0.0950 0.980 96.9
3.200-2.920 0.1560 0.943 97.9
2.920-2.710 0.2450 0.886 97.8
2.710-2.530 0.3850 0.771 97.7
2.530-2.390 0.5260 0.660 95.5