Data quality metrics extracted from 3usc.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": "083a03506a948ddda5df780ffa6bf1a0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 94.17,
    "b": 98.16,
    "c": 183.96,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.000,2.000],
    "number_observations_unique": 101239,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "I/SigI",
        "value": 12.060
      },
      {
        "type": "Completeness",
        "value": 85.100
      },
      {
        "type": "Redundancy",
        "value": 2.893
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.100,2.000],
      "number_observations": 69260,
      "number_observations_unique": 25600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.369
        },
        {
          "type": "I/SigI",
          "value": 3.800
        },
        {
          "type": "Completeness",
          "value": 84.600
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.100],
      "number_observations": 80191,
      "number_observations_unique": 28997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 5.040
        },
        {
          "type": "Completeness",
          "value": 85.600
        }
      ]
    },
    {
      "resolution_limits": [2.410,2.240],
      "number_observations": 75194,
      "number_observations_unique": 26751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.216
        },
        {
          "type": "I/SigI",
          "value": 6.520
        },
        {
          "type": "Completeness",
          "value": 85.800
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.410],
      "number_observations": 75860,
      "number_observations_unique": 26304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 8.430
        },
        {
          "type": "Completeness",
          "value": 86.400
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.640],
      "number_observations": 65850,
      "number_observations_unique": 22368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 11.040
        },
        {
          "type": "Completeness",
          "value": 86.000
        }
      ]
    },
    {
      "resolution_limits": [3.380,2.930],
      "number_observations": 63434,
      "number_observations_unique": 21101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 15.380
        },
        {
          "type": "Completeness",
          "value": 85.600
        }
      ]
    },
    {
      "resolution_limits": [4.120,3.380],
      "number_observations": 52310,
      "number_observations_unique": 17384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 22.340
        },
        {
          "type": "Completeness",
          "value": 84.200
        }
      ]
    },
    {
      "resolution_limits": [5.800,4.120],
      "number_observations": 42134,
      "number_observations_unique": 13574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 29.960
        },
        {
          "type": "Completeness",
          "value": 83.200
        }
      ]
    },
    {
      "resolution_limits": [20.000,5.800],
      "number_observations": 23140,
      "number_observations_unique": 7156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 38.030
        },
        {
          "type": "Completeness",
          "value": 80.300
        }
      ]
    },
    {
      "resolution_limits": [30.000,20.000],
      "number_observations": 396,
      "number_observations_unique": 123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 43.440
        },
        {
          "type": "Completeness",
          "value": 75.900
        }
      ]
    },
    {
      "resolution_limits": [100.000,30.000],
      "number_observations": 92,
      "number_observations_unique": 36,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 39.300
        },
        {
          "type": "Completeness",
          "value": 57.100
        }
      ]
    }
  ]

}
  

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


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