Data quality metrics extracted from 3w15.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": "225c43649893ba6b4c0a9ea09d6e15a6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 78.89,
    "b": 52.75,
    "c": 97.57,
    "alpha": 90.00,
    "beta": 106.59,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.24,1.80],
    "number_observations_unique": 71460,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 20.2139
      },
      {
        "type": "Completeness",
        "value": 99.77
      },
      {
        "type": "Redundancy",
        "value": 7.12
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 70702,
      "number_observations_unique": 10319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20
        },
        {
          "type": "Completeness",
          "value": 99.24
        },
        {
          "type": "Redundancy",
          "value": 6.85
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.90],
      "number_observations": 69944,
      "number_observations_unique": 9797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 7.14
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "number_observations": 66030,
      "number_observations_unique": 9231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 7.15
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "number_observations": 62085,
      "number_observations_unique": 8661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 7.17
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.32],
      "number_observations": 57059,
      "number_observations_unique": 7930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.20
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.55],
      "number_observations": 51965,
      "number_observations_unique": 7198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.22
        }
      ]
    },
    {
      "resolution_limits": [3.29,2.85],
      "number_observations": 46208,
      "number_observations_unique": 6391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.23
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.29],
      "number_observations": 38892,
      "number_observations_unique": 5396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 7.21
        }
      ]
    },
    {
      "resolution_limits": [5.69,4.02],
      "number_observations": 30213,
      "number_observations_unique": 4226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 7.15
        }
      ]
    },
    {
      "resolution_limits": [32.24,5.69],
      "number_observations": 15719,
      "number_observations_unique": 2311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 97.21
        },
        {
          "type": "Redundancy",
          "value": 6.80
        }
      ]
    }
  ]

}
  

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


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