Data quality metrics extracted from 2awa.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": "8cc8a5f6461e52b572c4fb2dec1fb0e0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 94.06,
    "b": 70.72,
    "c": 135.44,
    "alpha": 90.00,
    "beta": 91.04,
    "gamma": 90.00
  },
  "wavelengths": [0.97934,0.91837,0.97923],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.9,2.50],
    "number_observations_unique": 59570,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 8.000
      },
      {
        "type": "Completeness",
        "value": 91.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.60,2.50],
      "number_observations": 18897,
      "number_observations_unique": 10004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 1.850
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.60],
      "number_observations": 34577,
      "number_observations_unique": 17756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 2.430
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.79],
      "number_observations": 16518,
      "number_observations_unique": 8495,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 3.160
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.90],
      "number_observations": 17374,
      "number_observations_unique": 8872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 4.150
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.03],
      "number_observations": 17892,
      "number_observations_unique": 9136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 5.630
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.19],
      "number_observations": 18197,
      "number_observations_unique": 9280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 7.330
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.39],
      "number_observations": 18347,
      "number_observations_unique": 9328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 9.860
        }
      ]
    },
    {
      "resolution_limits": [4.01,3.65],
      "number_observations": 18407,
      "number_observations_unique": 9290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 12.000
        }
      ]
    },
    {
      "resolution_limits": [4.59,4.01],
      "number_observations": 18866,
      "number_observations_unique": 9431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 14.950
        }
      ]
    },
    {
      "resolution_limits": [5.75,4.59],
      "number_observations": 18566,
      "number_observations_unique": 9192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 15.560
        }
      ]
    },
    {
      "resolution_limits": [48.9,5.75],
      "number_observations": 18874,
      "number_observations_unique": 9262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 16.040
        }
      ]
    }
  ]

}
  

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


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