Data quality metrics extracted from 4xlr.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": "8e2708506c48e8667510baafb95375bb",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 289.84,
    "b": 289.84,
    "c": 536.34,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,4.150],
    "number_observations": 1302221,
    "number_observations_unique": 171617,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.208
      },
      {
        "type": "R(meas)",
        "value": 0.222
      },
      {
        "type": "R(pim)",
        "value": 0.137
      },
      {
        "type": "I/SigI",
        "value": 2.000
      },
      {
        "type": "Completeness",
        "value": 97.100
      },
      {
        "type": "Redundancy",
        "value": 7.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.300,4.150],
      "number_observations_unique": 12929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        },
        {
          "type": "R(meas)",
          "value": 0.498
        },
        {
          "type": "R(pim)",
          "value": 0.894
        },
        {
          "type": "Completeness",
          "value": 73.900
        },
        {
          "type": "Redundancy",
          "value": 4.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.028
        }
      ]
    },
    {
      "resolution_limits": [4.470,4.300],
      "number_observations_unique": 17321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "R(pim)",
          "value": 0.534
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.062
        }
      ]
    },
    {
      "resolution_limits": [4.670,4.470],
      "number_observations_unique": 17416,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.165
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.094
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.670],
      "number_observations_unique": 17514,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.048
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.149
        }
      ]
    },
    {
      "resolution_limits": [5.230,4.920],
      "number_observations_unique": 17559,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.139
        }
      ]
    },
    {
      "resolution_limits": [5.630,5.230],
      "number_observations_unique": 17560,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 8.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.213
        }
      ]
    },
    {
      "resolution_limits": [6.190,5.630],
      "number_observations_unique": 17614,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 8.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.290
        }
      ]
    },
    {
      "resolution_limits": [7.090,6.190],
      "number_observations_unique": 17689,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 9.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.527
        }
      ]
    },
    {
      "resolution_limits": [8.910,7.090],
      "number_observations_unique": 17792,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 8.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [40.000,8.910],
      "number_observations_unique": 18223,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 8.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 40.000 40.000 4.470
High resolution limit [Å] 4.150 8.910 4.300
R(merge) 0.2080 - 0.1330
R(meas) 0.2220 - 0.1420
R(pim) 0.1370 - 0.5340
CC(1/2) - 0.993 0.062
Completeness [%] 97.1 98.7 99.3
Multiplicity 7.6 8.2 6.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
40.000-8.910 - - - 0.993 98.7 8.2
8.910-7.090 - - - 0.945 99.5 8.9
7.090-6.190 - - - 0.527 99.7 9.0
6.190-5.630 - - - 0.290 99.8 8.7
5.630-5.230 - - - 0.213 99.9 8.2
5.230-4.920 - - - 0.139 100.0 7.5
4.920-4.670 - - 0.0480 0.149 99.9 7.0
4.670-4.470 - - 0.1650 0.094 99.6 6.5
4.470-4.300 0.1330 0.1420 0.5340 0.062 99.3 6.1
4.300-4.150 0.4690 0.4980 0.8940 0.028 73.9 4.8