Data quality metrics extracted from 6n50.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": "b9ad3407af5380912ea843632648aa94",
  "space_group_name": "I 21 21 21",
  "unit_cell": {
    "a": 150.433,
    "b": 157.159,
    "c": 208.112,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.290,3.750],
    "number_observations_unique": 25207,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "R(meas)",
        "value": 0.147
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 8.800
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.916
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.010,3.750],
      "number_observations_unique": 4487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.848
        },
        {
          "type": "R(meas)",
          "value": 1.010
        },
        {
          "type": "R(pim)",
          "value": 0.540
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.786
        }
      ]
    },
    {
      "resolution_limits": [39.290,10.610],
      "number_observations_unique": 1173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 39.290 39.290
High resolution limit [Å] 3.750 10.610
R(merge) 0.1230 0.0260
R(meas) 0.1470 0.0320
R(pim) 0.0800 0.0180
CC(1/2) 0.916 0.997
Completeness [%] 98.6 96.5
Multiplicity 3.4 3.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
39.290-10.610 0.0260 0.0320 0.0180 0.997 96.5 3.1
4.010-3.750 0.8480 1.0100 0.5400 0.786 98.1 3.4