Data quality metrics extracted from 2a2m.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": "709cc230a118c225fd23c4f9f910669f",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 283.292,
    "b": 283.292,
    "c": 283.292,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [164.400,1.88],
    "number_observations_unique": 70979,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 13.740
      },
      {
        "type": "Completeness",
        "value": 91.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.88],
      "number_observations": 38248,
      "number_observations_unique": 9433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 2.040
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.95],
      "number_observations": 51572,
      "number_observations_unique": 11328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 2.740
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.03],
      "number_observations": 70487,
      "number_observations_unique": 13040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 4.060
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.12],
      "number_observations": 91047,
      "number_observations_unique": 14233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.23],
      "number_observations": 93700,
      "number_observations_unique": 14618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 7.950
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.37],
      "number_observations": 93228,
      "number_observations_unique": 14502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 10.740
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.55],
      "number_observations": 96404,
      "number_observations_unique": 14977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 14.590
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.81],
      "number_observations": 94286,
      "number_observations_unique": 14667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 19.440
        }
      ]
    },
    {
      "resolution_limits": [4.04,3.21],
      "number_observations": 95132,
      "number_observations_unique": 14949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 27.360
        }
      ]
    },
    {
      "resolution_limits": [164.400,4.04],
      "number_observations": 92598,
      "number_observations_unique": 14948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 33.890
        }
      ]
    }
  ]

}
  

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


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