Data quality metrics extracted from 6li5.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": "97eb833683b2df3747729ceb57ba6cf5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.162,
    "b": 84.045,
    "c": 81.416,
    "alpha": 90.00,
    "beta": 98.51,
    "gamma": 90.00
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.020,1.820],
    "number_observations": 197944,
    "number_observations_unique": 51159,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "R(meas)",
        "value": 0.035
      },
      {
        "type": "R(pim)",
        "value": 0.018
      },
      {
        "type": "I/SigI",
        "value": 19.200
      },
      {
        "type": "Completeness",
        "value": 91.000
      },
      {
        "type": "Redundancy",
        "value": 3.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.920,1.820],
      "number_observations_unique": 6788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "R(meas)",
          "value": 0.566
        },
        {
          "type": "R(pim)",
          "value": 0.277
        },
        {
          "type": "Completeness",
          "value": 83.100
        },
        {
          "type": "Redundancy",
          "value": 4.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [10,5.750],
      "number_observations_unique": 1609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "Completeness",
          "value": 87.600
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.020 10.000 10.000
High resolution limit [Å] 1.820 5.750 5.750
R(merge) 0.0300 0.0260 0.0260
R(meas) 0.0350 0.0300 0.0300
R(pim) 0.0180 0.0150 0.0150
CC(1/2) 0.999 0.997 0.997
Completeness [%] 91.0 87.6 87.6
Multiplicity 3.9 3.7 3.7


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
10.000-5.750 0.0260 0.0300 0.0150 0.997 87.6 3.7
1.920-1.820 0.4920 0.5660 0.2770 0.929 83.1 4.0