Data quality metrics extracted from 3sxb.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": "e819c29a90fe1e8932c713bff6234144",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.59,
    "b": 149.84,
    "c": 79.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.953,1.490],
    "number_observations_unique": 49296,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 20.6
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 4.28
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.540,1.490],
      "number_observations": 17176,
      "number_observations_unique": 4771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 93.500
        },
        {
          "type": "Redundancy",
          "value": 3.580
        }
      ]
    },
    {
      "resolution_limits": [1.600,1.540],
      "number_observations": 17869,
      "number_observations_unique": 4829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "I/SigI",
          "value": 4.700
        },
        {
          "type": "Completeness",
          "value": 94.400
        },
        {
          "type": "Redundancy",
          "value": 3.680
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.600],
      "number_observations": 18618,
      "number_observations_unique": 4844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 5.800
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 3.820
        }
      ]
    },
    {
      "resolution_limits": [1.770,1.680],
      "number_observations": 19854,
      "number_observations_unique": 4906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 7.900
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 4.010
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.770],
      "number_observations": 21674,
      "number_observations_unique": 4937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 10.700
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 4.350
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.880],
      "number_observations": 22183,
      "number_observations_unique": 4993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 13.300
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 4.410
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.020],
      "number_observations": 22988,
      "number_observations_unique": 5044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 17.800
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 4.530
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.230],
      "number_observations": 23621,
      "number_observations_unique": 5055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 23.300
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 4.640
        }
      ]
    },
    {
      "resolution_limits": [3.210,2.550],
      "number_observations": 24137,
      "number_observations_unique": 5005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 34.800
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 4.790
        }
      ]
    },
    {
      "resolution_limits": [19.830,3.210],
      "number_observations": 24333,
      "number_observations_unique": 4912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 66.900
        },
        {
          "type": "Completeness",
          "value": 91.000
        },
        {
          "type": "Redundancy",
          "value": 4.890
        }
      ]
    }
  ]

}
  

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


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