Data quality metrics extracted from 1x9g.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": "6bc88399f8f726310a369be8efdfcbf9",
  "space_group_name": "I 4 3 2",
  "unit_cell": {
    "a": 147.438,
    "b": 147.438,
    "c": 147.438,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91979,0.97940,0.97930,0.89190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.40,2.40],
    "number_observations_unique": 10935,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "Redundancy",
        "value": 20.80
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.47,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.918
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 20.6
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.47],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.914
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.0
        }
      ]
    },
    {
      "resolution_limits": [2.64,2.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.647
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.3
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.64],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.455
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.4
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.5
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.87],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.4
        }
      ]
    },
    {
      "resolution_limits": [3.21,3.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.3
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.21],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.1
        }
      ]
    },
    {
      "resolution_limits": [3.81,3.46],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 20.9
        }
      ]
    },
    {
      "resolution_limits": [4.36,3.81],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 20.3
        }
      ]
    },
    {
      "resolution_limits": [5.49,4.36],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 19.4
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.49],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "Completeness",
          "value": 98.4
        },
        {
          "type": "Redundancy",
          "value": 19.0
        }
      ]
    }
  ]

}
  

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


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