Data quality metrics extracted from 8s48.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": "fc4166217651494f14ee804d12be27ba",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 41.33,
    "b": 64.68,
    "c": 128.65,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.74,1.65],
    "number_observations_unique": 79830,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 10.42
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.65],
      "number_observations_unique": 12861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.808
        },
        {
          "type": "R(meas)",
          "value": 2.063
        },
        {
          "type": "CC(1/2)",
          "value": 0.5579999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.75],
      "number_observations_unique": 10261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.05
        },
        {
          "type": "R(meas)",
          "value": 1.2009999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.773
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.85],
      "number_observations_unique": 15018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "R(meas)",
          "value": 0.5760000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9259999999999999
        }
      ]
    },
    {
      "resolution_limits": [8.0,2.05],
      "number_observations_unique": 40998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.027999999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 57,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027999999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 67,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "R(meas)",
          "value": 0.022000000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 35.740 50.000 1.850
High resolution limit [Å] 1.650 17.000 1.750
R(merge) 0.0550 0.0200 1.0500
R(meas) 0.0630 0.0220 1.2010
CC(1/2) 0.999 0.999 0.773
Completeness [%] 99.6 - -
Multiplicity 4.2 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
50.000-17.000 0.0200 0.0220 0.999
17.000-14.000 0.0250 0.0280 0.999
14.000-8.000 0.0240 0.0280 0.998
8.000-2.050 0.0450 0.0510 0.999
2.050-1.850 0.5030 0.5760 0.926
1.850-1.750 1.0500 1.2010 0.773
1.750-1.650 1.8080 2.0630 0.558