Data quality metrics extracted from 3so9.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": "014d1c15332686b6c585d59ff3c35dc1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 28.901,
    "b": 66.376,
    "c": 90.839,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.87],
    "number_observations_unique": 10380,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.87],
      "number_observations_unique": 343,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.95],
      "number_observations_unique": 348,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    },
    {
      "resolution_limits": [3.06,3.00],
      "number_observations_unique": 377,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.06],
      "number_observations_unique": 350,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.12],
      "number_observations_unique": 386,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    },
    {
      "resolution_limits": [3.27,3.19],
      "number_observations_unique": 357,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.27],
      "number_observations_unique": 356,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.35],
      "number_observations_unique": 367,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    },
    {
      "resolution_limits": [3.54,3.44],
      "number_observations_unique": 380,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 4.3
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.54],
      "number_observations_unique": 367,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 4.7
        }
      ]
    },
    {
      "resolution_limits": [3.78,3.65],
      "number_observations_unique": 347,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.78],
      "number_observations_unique": 368,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.93],
      "number_observations_unique": 377,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    },
    {
      "resolution_limits": [4.33,4.11],
      "number_observations_unique": 368,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [4.60,4.33],
      "number_observations_unique": 360,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    },
    {
      "resolution_limits": [4.95,4.60],
      "number_observations_unique": 376,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    },
    {
      "resolution_limits": [5.45,4.95],
      "number_observations_unique": 355,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [6.23,5.45],
      "number_observations_unique": 363,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 4.5
        }
      ]
    },
    {
      "resolution_limits": [30.00,7.83],
      "number_observations_unique": 372,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.4
        },
        {
          "type": "Redundancy",
          "value": 3.7
        }
      ]
    },
    {
      "resolution_limits": [7.83,6.23],
      "number_observations_unique": 372,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.6
        },
        {
          "type": "Redundancy",
          "value": 4.1
        }
      ]
    }
  ]

}
  

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


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