Data quality metrics extracted from 3bwv.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": "9bd7cdf67cbfb33de087b77706042ec3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.31,
    "b": 40.27,
    "c": 55.31,
    "alpha": 71.93,
    "beta": 75.08,
    "gamma": 83.62
  },
  "wavelengths": [0.91837,0.97908,0.97959],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.235,1.54],
    "number_observations_unique": 43195,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 4.920
      },
      {
        "type": "Completeness",
        "value": 92.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.60,1.54],
      "number_observations": 6168,
      "number_observations_unique": 7578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.529
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 75.20
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.60],
      "number_observations": 7022,
      "number_observations_unique": 8058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.434
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 94.00
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.66],
      "number_observations": 7184,
      "number_observations_unique": 8134,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.351
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.73],
      "number_observations": 8502,
      "number_observations_unique": 9608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 94.80
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.83],
      "number_observations": 7322,
      "number_observations_unique": 8336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 94.90
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.94],
      "number_observations": 7646,
      "number_observations_unique": 8767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.09],
      "number_observations": 7638,
      "number_observations_unique": 8880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 95.60
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.30],
      "number_observations": 7322,
      "number_observations_unique": 8785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 95.90
        }
      ]
    },
    {
      "resolution_limits": [3.31,2.63],
      "number_observations": 6960,
      "number_observations_unique": 8857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 9.0
        },
        {
          "type": "Completeness",
          "value": 95.50
        }
      ]
    },
    {
      "resolution_limits": [29.235,3.31],
      "number_observations": 6650,
      "number_observations_unique": 8811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 10.4
        },
        {
          "type": "Completeness",
          "value": 94.70
        }
      ]
    }
  ]

}
  

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


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