Data quality metrics extracted from 4z6l.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": "fd25c65827a7f50fbc090f8d68b6df8a",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 110.346,
    "b": 150.594,
    "c": 96.175,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.088,1.650],
    "number_observations": 1107002,
    "number_observations_unique": 191550,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "R(meas)",
        "value": 0.097
      },
      {
        "type": "R(pim)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 11.000
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 5.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.740,1.650],
      "number_observations": 155318,
      "number_observations_unique": 27314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.837
        },
        {
          "type": "R(pim)",
          "value": 0.378
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 5.700
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.740],
      "number_observations": 154588,
      "number_observations_unique": 26273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "R(pim)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.840],
      "number_observations": 145274,
      "number_observations_unique": 24765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "R(pim)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [2.130,1.970],
      "number_observations": 135275,
      "number_observations_unique": 23082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "R(pim)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.130],
      "number_observations": 125384,
      "number_observations_unique": 21305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "R(pim)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.330],
      "number_observations": 113981,
      "number_observations_unique": 19327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(pim)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 7.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [3.010,2.610],
      "number_observations": 99095,
      "number_observations_unique": 17128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(pim)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 9.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.800
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.010],
      "number_observations": 80741,
      "number_observations_unique": 14543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 11.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [5.220,3.690],
      "number_observations": 61751,
      "number_observations_unique": 11349,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 14.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.400
        }
      ]
    },
    {
      "resolution_limits": [48.088,5.220],
      "number_observations": 35595,
      "number_observations_unique": 6464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 17.600
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.088 48.088 1.840
High resolution limit [Å] 1.650 5.220 1.740
R(merge) 0.0880 0.0360 0.5430
R(meas) 0.0970 - -
R(pim) 0.0400 0.0160 0.2420
Completeness [%] 99.7 99.6 99.7
Multiplicity 5.8 5.5 5.9


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
48.088-5.220 0.0360 0.0160 99.6 5.5
5.220-3.690 0.0460 0.0210 99.9 5.4
3.690-3.010 0.0570 0.0260 100.0 5.6
3.010-2.610 0.0770 0.0350 100.0 5.8
2.610-2.330 0.1060 0.0480 100.0 5.9
2.330-2.130 0.1410 0.0640 100.0 5.9
2.130-1.970 0.2130 0.0960 99.9 5.9
1.970-1.840 0.3340 0.1500 99.9 5.9
1.840-1.740 0.5430 0.2420 99.7 5.9
1.740-1.650 0.8370 0.3780 98.3 5.7