Data quality metrics extracted from 6qeq.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": "ac79a593f83d518e9480f1034149867d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.848,
    "b": 61.482,
    "c": 89.117,
    "alpha": 90.00,
    "beta": 100.97,
    "gamma": 90.00
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.813,1.760],
    "number_observations": 361156,
    "number_observations_unique": 99328,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 9.730
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 3.636
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.860,1.760],
      "number_observations_unique": 15117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.630
        },
        {
          "type": "R(meas)",
          "value": 3.137
        },
        {
          "type": "I/SigI",
          "value": 0.310
        },
        {
          "type": "Completeness",
          "value": 91.600
        },
        {
          "type": "Redundancy",
          "value": 3.364
        },
        {
          "type": "CC(1/2)",
          "value": 0.136
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.860],
      "number_observations_unique": 15321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.289
        },
        {
          "type": "R(meas)",
          "value": 1.508
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.740
        },
        {
          "type": "CC(1/2)",
          "value": 0.448
        }
      ]
    },
    {
      "resolution_limits": [2.150,1.990],
      "number_observations_unique": 14262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.594
        },
        {
          "type": "R(meas)",
          "value": 0.695
        },
        {
          "type": "I/SigI",
          "value": 1.920
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.739
        },
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.150],
      "number_observations_unique": 13211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "R(meas)",
          "value": 0.336
        },
        {
          "type": "I/SigI",
          "value": 4.080
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.712
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.360],
      "number_observations_unique": 11814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 7.470
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.669
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.630],
      "number_observations_unique": 10399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 13.900
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.533
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.720,3.040],
      "number_observations_unique": 8566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 26.430
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 3.459
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.240,3.720],
      "number_observations_unique": 6872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 37.870
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.878
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [37.813,5.240],
      "number_observations_unique": 3766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 39.620
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 3.788
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 37.813 37.813 1.990
High resolution limit [Å] 1.760 5.240 1.860
R(merge) 0.0570 0.0300 1.2890
R(meas) 0.0670 0.0360 1.5080
CC(1/2) 0.999 0.998 0.448
Completeness [%] 97.8 98.9 99.9
Multiplicity 3.6 3.8 3.7


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
37.813-5.240 0.0300 0.0360 0.998 98.9 3.8
5.240-3.720 0.0290 0.0330 0.999 99.8 3.9
3.720-3.040 0.0380 0.0440 0.998 96.2 3.5
3.040-2.630 0.0770 0.0910 0.994 98.4 3.5
2.630-2.360 0.1510 0.1770 0.978 99.3 3.7
2.360-2.150 0.2870 0.3360 0.928 99.5 3.7
2.150-1.990 0.5940 0.6950 0.769 99.6 3.7
1.990-1.860 1.2890 1.5080 0.448 99.9 3.7
1.860-1.760 2.6300 3.1370 0.136 91.6 3.4