Data quality metrics extracted from 6na4.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": "6d6b4606c79d1d78465faf48b16a5423",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 109.342,
    "b": 78.829,
    "c": 138.786,
    "alpha": 90.00,
    "beta": 108.06,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.415,1.720],
    "number_observations_unique": 446804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 15.550
      },
      {
        "type": "Completeness",
        "value": 96.100
      },
      {
        "type": "Redundancy",
        "value": 6.676
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.720],
      "number_observations": 184811,
      "number_observations_unique": 31082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.869
        },
        {
          "type": "R(meas)",
          "value": 0.952
        },
        {
          "type": "I/SigI",
          "value": 1.640
        },
        {
          "type": "Completeness",
          "value": 81.400
        },
        {
          "type": "Redundancy",
          "value": 5.946
        },
        {
          "type": "CC(1/2)",
          "value": 0.714
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.830],
      "number_observations": 248058,
      "number_observations_unique": 35577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.567
        },
        {
          "type": "R(meas)",
          "value": 0.613
        },
        {
          "type": "I/SigI",
          "value": 3.040
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.972
        },
        {
          "type": "CC(1/2)",
          "value": 0.900
        }
      ]
    },
    {
      "resolution_limits": [2.110,1.950],
      "number_observations": 220580,
      "number_observations_unique": 32898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "R(meas)",
          "value": 0.353
        },
        {
          "type": "I/SigI",
          "value": 5.370
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 6.705
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.110],
      "number_observations": 214660,
      "number_observations_unique": 30574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 8.850
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 7.021
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.310],
      "number_observations": 183629,
      "number_observations_unique": 27427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 13.460
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 6.695
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.580],
      "number_observations": 170134,
      "number_observations_unique": 24475,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 21.430
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.951
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.640,2.980],
      "number_observations": 134719,
      "number_observations_unique": 20650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 36.420
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.524
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.130,3.640],
      "number_observations": 102750,
      "number_observations_unique": 16026,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 51.130
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 6.411
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [39.415,5.130],
      "number_observations": 61894,
      "number_observations_unique": 9170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 51.400
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.750
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.415 39.415 1.950
High resolution limit [Å] 1.720 5.130 1.830
R(merge) 0.0840 0.0270 0.5670
R(meas) 0.0910 0.0290 0.6130
CC(1/2) 0.999 1.000 0.900
Completeness [%] 96.1 98.7 99.2
Multiplicity 6.7 6.8 7.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.415-5.130 0.0270 0.0290 1.000 98.7 6.8
5.130-3.640 0.0320 0.0350 0.999 98.5 6.4
3.640-2.980 0.0470 0.0510 0.999 98.7 6.5
2.980-2.580 0.0860 0.0930 0.997 99.3 7.0
2.580-2.310 0.1350 0.1460 0.993 98.4 6.7
2.310-2.110 0.2070 0.2240 0.987 99.4 7.0
2.110-1.950 0.3250 0.3530 0.963 98.4 6.7
1.950-1.830 0.5670 0.6130 0.900 99.2 7.0
1.830-1.720 0.8690 0.9520 0.714 81.4 5.9