Data quality metrics extracted from 7c4s.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": "58c8afb5c22680137261c67043344505",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 79.48,
    "b": 247.08,
    "c": 98.61,
    "alpha": 90.00,
    "beta": 97.37,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.480,3.200],
    "number_observations": 1855076,
    "number_observations_unique": 30984,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.732
      },
      {
        "type": "R(meas)",
        "value": 0.738
      },
      {
        "type": "I/SigI",
        "value": 11.020
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 59.872
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.390,3.200],
      "number_observations_unique": 4934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.754
        },
        {
          "type": "R(meas)",
          "value": 12.686
        },
        {
          "type": "I/SigI",
          "value": 1.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 53.468
        },
        {
          "type": "CC(1/2)",
          "value": 0.663
        }
      ]
    },
    {
      "resolution_limits": [3.620,3.390],
      "number_observations_unique": 4616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.212
        },
        {
          "type": "R(meas)",
          "value": 3.787
        },
        {
          "type": "I/SigI",
          "value": 2.650
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 57.243
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.620],
      "number_observations_unique": 4314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.277
        },
        {
          "type": "R(meas)",
          "value": 2.229
        },
        {
          "type": "I/SigI",
          "value": 4.230
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 63.563
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.900],
      "number_observations_unique": 3976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.729
        },
        {
          "type": "R(meas)",
          "value": 1.287
        },
        {
          "type": "I/SigI",
          "value": 7.240
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 63.254
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [4.750,4.260],
      "number_observations_unique": 3640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.506
        },
        {
          "type": "R(meas)",
          "value": 0.735
        },
        {
          "type": "I/SigI",
          "value": 12.210
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 62.688
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.450,4.750],
      "number_observations_unique": 3203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.440
        },
        {
          "type": "R(meas)",
          "value": 0.510
        },
        {
          "type": "I/SigI",
          "value": 16.110
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 61.201
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [6.600,5.450],
      "number_observations_unique": 2752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.444
        },
        {
          "type": "I/SigI",
          "value": 16.630
        },
        {
          "type": "Redundancy",
          "value": 56.136
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [9.030,6.600],
      "number_observations_unique": 2152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 28.660
        },
        {
          "type": "Redundancy",
          "value": 61.524
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.480,9.030],
      "number_observations_unique": 1397,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 51.830
        },
        {
          "type": "Redundancy",
          "value": 64.586
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.480 43.480 3.620
High resolution limit [Å] 3.200 9.030 3.390
R(merge) 0.7320 - 2.2120
R(meas) 0.7380 0.1350 3.7870
CC(1/2) 0.996 0.998 0.861
Completeness [%] 100.0 - 100.0
Multiplicity 59.9 64.6 57.2


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.480-9.030 - 0.1350 0.998 - 64.6
9.030-6.600 0.1340 0.2240 0.999 - 61.5
6.600-5.450 0.2220 0.4440 0.995 - 56.1
5.450-4.750 0.4400 0.5100 0.995 99.1 61.2
4.750-4.260 0.5060 0.7350 0.990 99.9 62.7
4.260-3.900 0.7290 1.2870 0.973 99.9 63.3
3.900-3.620 1.2770 2.2290 0.931 99.9 63.6
3.620-3.390 2.2120 3.7870 0.861 100.0 57.2
3.390-3.200 3.7540 12.6860 0.663 100.0 53.5