Data quality metrics extracted from 3sxa.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": "7502e3e995d2571988d1113f3b140e98",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.48,
    "b": 149.74,
    "c": 79.61,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.953,1.500],
    "number_observations_unique": 48983,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 23.2
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 4.33
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.550,1.500],
      "number_observations": 17054,
      "number_observations_unique": 4710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 94.700
        },
        {
          "type": "Redundancy",
          "value": 3.610
        }
      ]
    },
    {
      "resolution_limits": [1.620,1.550],
      "number_observations": 17850,
      "number_observations_unique": 4749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 5.000
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 3.740
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.620],
      "number_observations": 18880,
      "number_observations_unique": 4825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 6.200
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 3.890
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.690],
      "number_observations": 20277,
      "number_observations_unique": 4828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 7.800
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 4.170
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.780],
      "number_observations": 22225,
      "number_observations_unique": 4906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 10.400
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 4.480
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.890],
      "number_observations": 22545,
      "number_observations_unique": 4926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 14.300
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 4.530
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.040],
      "number_observations": 23269,
      "number_observations_unique": 4974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 20.000
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 4.650
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.240],
      "number_observations": 23667,
      "number_observations_unique": 5023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 27.800
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 4.680
        }
      ]
    },
    {
      "resolution_limits": [3.230,2.560],
      "number_observations": 23989,
      "number_observations_unique": 5030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 41.800
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 4.750
        }
      ]
    },
    {
      "resolution_limits": [19.810,3.230],
      "number_observations": 24155,
      "number_observations_unique": 5012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 76.400
        },
        {
          "type": "Completeness",
          "value": 94.600
        },
        {
          "type": "Redundancy",
          "value": 4.740
        }
      ]
    }
  ]

}
  

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


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