Data quality metrics extracted from 5c3a.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": "c0484e1d615cbe8cf46a0f76fefbaae0",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.66,
    "b": 149.86,
    "c": 79.37,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.95,1.330],
    "number_observations": 252362,
    "number_observations_unique": 64362,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 20.000
      },
      {
        "type": "Completeness",
        "value": 88.200
      },
      {
        "type": "Redundancy",
        "value": 3.890
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.370,1.330],
      "number_observations": 2955,
      "number_observations_unique": 2000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 27.800
        },
        {
          "type": "Redundancy",
          "value": 1.480
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.370],
      "number_observations": 10418,
      "number_observations_unique": 4919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.317
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 68.200
        },
        {
          "type": "Redundancy",
          "value": 2.110
        }
      ]
    },
    {
      "resolution_limits": [1.490,1.430],
      "number_observations": 22181,
      "number_observations_unique": 7050,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 3.700
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 3.130
        }
      ]
    },
    {
      "resolution_limits": [1.570,1.490],
      "number_observations": 24636,
      "number_observations_unique": 7147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "I/SigI",
          "value": 4.700
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.430
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.570],
      "number_observations": 26383,
      "number_observations_unique": 7167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 3.660
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.670],
      "number_observations": 29083,
      "number_observations_unique": 7170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 8.400
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 4.020
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.800],
      "number_observations": 32325,
      "number_observations_unique": 7219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 13.900
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 4.440
        }
      ]
    },
    {
      "resolution_limits": [2.270,1.980],
      "number_observations": 33906,
      "number_observations_unique": 7219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 22.200
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 4.670
        }
      ]
    },
    {
      "resolution_limits": [2.860,2.270],
      "number_observations": 34967,
      "number_observations_unique": 7131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 31.700
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 4.870
        }
      ]
    },
    {
      "resolution_limits": [35.070,2.860],
      "number_observations": 35508,
      "number_observations_unique": 7340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 59.400
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 4.770
        }
      ]
    }
  ]

}
  

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


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