Data quality metrics extracted from 2aam.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": "cde02a1a43dbd1d9f31a015826db2b78",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 194.93,
    "b": 84.62,
    "c": 195.01,
    "alpha": 90.0,
    "beta": 119.9,
    "gamma": 90.0
  },
  "wavelengths": [0.97917,0.91837],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.59,2.20],
    "number_observations_unique": 263407,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 8.150
      },
      {
        "type": "Completeness",
        "value": 90.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.20],
      "number_observations": 48264,
      "number_observations_unique": 34138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 1.970
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.28],
      "number_observations": 68338,
      "number_observations_unique": 43697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 2.360
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.37],
      "number_observations": 85227,
      "number_observations_unique": 50600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 3.080
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.48],
      "number_observations": 84145,
      "number_observations_unique": 50142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.61],
      "number_observations": 84624,
      "number_observations_unique": 50644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 4.810
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.77],
      "number_observations": 85732,
      "number_observations_unique": 51606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 6.190
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.98],
      "number_observations": 88213,
      "number_observations_unique": 53421,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 8.940
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.28],
      "number_observations": 88796,
      "number_observations_unique": 54208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 13.210
        }
      ]
    },
    {
      "resolution_limits": [4.72,3.76],
      "number_observations": 86342,
      "number_observations_unique": 53183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 15.610
        }
      ]
    },
    {
      "resolution_limits": [28.59,4.72],
      "number_observations": 86888,
      "number_observations_unique": 53751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 17.440
        }
      ]
    }
  ]

}
  

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


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