Data quality metrics extracted from 3wha.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": "536aec72aeba313ab7084f0619475687",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 107.17,
    "b": 98.92,
    "c": 64.24,
    "alpha": 90.00,
    "beta": 124.55,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.134,1.300],
    "number_observations_unique": 133172,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 14.500
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 3.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.30],
      "number_observations": 32305,
      "number_observations_unique": 9811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "Completeness",
          "value": 98.64
        },
        {
          "type": "Redundancy",
          "value": 3.29
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.33],
      "number_observations": 32027,
      "number_observations_unique": 9677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "Completeness",
          "value": 99.43
        },
        {
          "type": "Redundancy",
          "value": 3.31
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.37],
      "number_observations": 30455,
      "number_observations_unique": 9372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "Completeness",
          "value": 99.36
        },
        {
          "type": "Redundancy",
          "value": 3.25
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.41],
      "number_observations": 27954,
      "number_observations_unique": 9114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "Completeness",
          "value": 99.49
        },
        {
          "type": "Redundancy",
          "value": 3.07
        }
      ]
    },
    {
      "resolution_limits": [1.50,1.45],
      "number_observations": 29992,
      "number_observations_unique": 8854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "Completeness",
          "value": 99.36
        },
        {
          "type": "Redundancy",
          "value": 3.39
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.50],
      "number_observations": 28851,
      "number_observations_unique": 8553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "Completeness",
          "value": 99.13
        },
        {
          "type": "Redundancy",
          "value": 3.37
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.55],
      "number_observations": 27480,
      "number_observations_unique": 8176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "Completeness",
          "value": 98.97
        },
        {
          "type": "Redundancy",
          "value": 3.36
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.61],
      "number_observations": 26218,
      "number_observations_unique": 7886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "Completeness",
          "value": 98.67
        },
        {
          "type": "Redundancy",
          "value": 3.32
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.68],
      "number_observations": 23603,
      "number_observations_unique": 7524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 98.31
        },
        {
          "type": "Redundancy",
          "value": 3.14
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.75],
      "number_observations": 22723,
      "number_observations_unique": 7204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 98.04
        },
        {
          "type": "Redundancy",
          "value": 3.15
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.84],
      "number_observations": 22746,
      "number_observations_unique": 6797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 97.55
        },
        {
          "type": "Redundancy",
          "value": 3.35
        }
      ]
    },
    {
      "resolution_limits": [2.06,1.94],
      "number_observations": 21356,
      "number_observations_unique": 6446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 97.47
        },
        {
          "type": "Redundancy",
          "value": 3.31
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.06],
      "number_observations": 19770,
      "number_observations_unique": 6069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 97.74
        },
        {
          "type": "Redundancy",
          "value": 3.26
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.20],
      "number_observations": 17752,
      "number_observations_unique": 5636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 97.72
        },
        {
          "type": "Redundancy",
          "value": 3.15
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.37],
      "number_observations": 15490,
      "number_observations_unique": 5242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 98.25
        },
        {
          "type": "Redundancy",
          "value": 2.95
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.60],
      "number_observations": 16405,
      "number_observations_unique": 4732,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.52
        },
        {
          "type": "Redundancy",
          "value": 3.47
        }
      ]
    },
    {
      "resolution_limits": [3.36,2.91],
      "number_observations": 14797,
      "number_observations_unique": 4230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 99.28
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.36],
      "number_observations": 12132,
      "number_observations_unique": 3572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 99.10
        },
        {
          "type": "Redundancy",
          "value": 3.40
        }
      ]
    },
    {
      "resolution_limits": [5.81,4.11],
      "number_observations": 8974,
      "number_observations_unique": 2757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.37
        },
        {
          "type": "Redundancy",
          "value": 3.25
        }
      ]
    },
    {
      "resolution_limits": [44.13,5.81],
      "number_observations": 5561,
      "number_observations_unique": 1520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 97.14
        },
        {
          "type": "Redundancy",
          "value": 3.66
        }
      ]
    }
  ]

}
  

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


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