Data quality metrics extracted from 6na5.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": "646552facd423f759b50a19837c65dd2",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 77.0,
    "b": 146.7,
    "c": 200.2,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.361,1.360],
    "number_observations_unique": 223595,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.218
      },
      {
        "type": "R(meas)",
        "value": 0.237
      },
      {
        "type": "I/SigI",
        "value": 4.370
      },
      {
        "type": "Completeness",
        "value": 93.800
      },
      {
        "type": "Redundancy",
        "value": 6.213
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.440,1.360],
      "number_observations_unique": 99302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 13.194
        },
        {
          "type": "R(meas)",
          "value": 15.745
        },
        {
          "type": "I/SigI",
          "value": 0.040
        },
        {
          "type": "Completeness",
          "value": 65.700
        },
        {
          "type": "Redundancy",
          "value": 3.197
        },
        {
          "type": "CC(1/2)",
          "value": 0.126
        }
      ]
    },
    {
      "resolution_limits": [1.540,1.440],
      "number_observations_unique": 136071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 14.651
        },
        {
          "type": "R(meas)",
          "value": 16.361
        },
        {
          "type": "I/SigI",
          "value": 0.050
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 5.032
        },
        {
          "type": "CC(1/2)",
          "value": 0.622
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.540],
      "number_observations_unique": 132076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.645
        },
        {
          "type": "R(meas)",
          "value": 9.324
        },
        {
          "type": "I/SigI",
          "value": 0.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.670],
      "number_observations_unique": 121469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.801
        },
        {
          "type": "R(meas)",
          "value": 4.108
        },
        {
          "type": "I/SigI",
          "value": 0.510
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.923
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.830],
      "number_observations_unique": 110069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.430
        },
        {
          "type": "R(meas)",
          "value": 1.547
        },
        {
          "type": "I/SigI",
          "value": 1.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.040],
      "number_observations_unique": 96877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.600
        },
        {
          "type": "R(meas)",
          "value": 0.648
        },
        {
          "type": "I/SigI",
          "value": 5.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.880,2.360],
      "number_observations_unique": 81893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "R(meas)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 10.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.800
        }
      ]
    },
    {
      "resolution_limits": [4.070,2.880],
      "number_observations_unique": 63342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 20.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.931
        }
      ]
    },
    {
      "resolution_limits": [49.361,4.070],
      "number_observations_unique": 34876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 27.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.523
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.361 49.361 1.540
High resolution limit [Å] 1.360 4.070 1.440
R(merge) 0.2180 0.0640 14.6510
R(meas) 0.2370 0.0700 16.3610
CC(1/2) 0.997 - 0.622
Completeness [%] 93.8 99.8 95.9
Multiplicity 6.2 6.5 5.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.361-4.070 0.0640 0.0700 - 99.8 6.5
4.070-2.880 0.0960 0.1040 - 100.0 6.9
2.880-2.360 0.2500 0.2710 - 100.0 6.8
2.360-2.040 0.6000 0.6480 0.997 99.9 7.1
2.040-1.830 1.4300 1.5470 0.995 100.0 6.9
1.830-1.670 3.8010 4.1080 0.979 99.9 6.9
1.670-1.540 8.6450 9.3240 0.926 100.0 8.1
1.540-1.440 14.6510 16.3610 0.622 95.9 5.0
1.440-1.360 13.1940 15.7450 0.126 65.7 3.2