Data quality metrics extracted from 6smc.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": "85aa17fbaa9a5a83410bcd2456135360",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.074,
    "b": 96.791,
    "c": 107.780,
    "alpha": 68.586,
    "beta": 76.842,
    "gamma": 85.827
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.76,3.5],
    "number_observations_unique": 21609,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.233
      },
      {
        "type": "I/SigI",
        "value": 5.49
      },
      {
        "type": "Completeness",
        "value": 92.9
      },
      {
        "type": "Redundancy",
        "value": 4.12
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [48.76,10.28],
      "number_observations_unique": 821,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 23.46
        },
        {
          "type": "Completeness",
          "value": 89.6
        },
        {
          "type": "Redundancy",
          "value": 4.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [10.28,7.35],
      "number_observations_unique": 1551,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 16.50
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 4.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [7.35,6.02],
      "number_observations_unique": 1954,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 9.46
        },
        {
          "type": "Completeness",
          "value": 95.6
        },
        {
          "type": "Redundancy",
          "value": 4.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [6.02,5.23],
      "number_observations_unique": 2282,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 6.93
        },
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 4.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.23,4.68],
      "number_observations_unique": 2438,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 5.69
        },
        {
          "type": "Completeness",
          "value": 90.1
        },
        {
          "type": "Redundancy",
          "value": 4.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [4.68,4.28],
      "number_observations_unique": 2777,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.368
        },
        {
          "type": "I/SigI",
          "value": 4.06
        },
        {
          "type": "Completeness",
          "value": 91.6
        },
        {
          "type": "Redundancy",
          "value": 4.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [4.28,3.96],
      "number_observations_unique": 3056,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.623
        },
        {
          "type": "I/SigI",
          "value": 2.46
        },
        {
          "type": "Completeness",
          "value": 92.4
        },
        {
          "type": "Redundancy",
          "value": 4.18
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    },
    {
      "resolution_limits": [3.96,3.71],
      "number_observations_unique": 3285,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.1173
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "Completeness",
          "value": 94.0
        },
        {
          "type": "Redundancy",
          "value": 4.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.729
        }
      ]
    },
    {
      "resolution_limits": [3.71,3.50],
      "number_observations_unique": 3445,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.852
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "Completeness",
          "value": 91.9
        },
        {
          "type": "Redundancy",
          "value": 4.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.578
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.760 10.280 3.710
High resolution limit [Å] 3.500 7.350 3.500
R(meas) 0.2330 0.0750 1.8520
CC(1/2) 0.992 0.997 0.578
Completeness [%] 92.9 97.1 91.9
Multiplicity 4.1 4.2 5.1


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

Resolution [Å] R(meas) CC(1/2) Completeness [%] Multiplicity
48.760-10.280 0.0580 0.996 89.6 5.1
10.280-7.350 0.0750 0.997 97.1 4.2
7.350-6.020 0.1490 0.988 95.6 4.2
6.020-5.230 0.1910 0.988 93.9 4.0
5.230-4.680 0.2350 0.984 90.1 4.1
4.680-4.280 0.3680 0.951 91.6 4.1
4.280-3.960 0.6230 0.892 92.4 4.2
3.960-3.710 1.1173 0.729 94.0 4.2
3.710-3.500 1.8520 0.578 91.9 5.1