Data quality metrics extracted from 2a0m.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": "a35fe5d408e1b7f6614a5ae8abdf8ce8",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 128.875,
    "b": 128.875,
    "c": 42.671,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.60],
    "number_observations_unique": 32939,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 10.952
      },
      {
        "type": "Completeness",
        "value": 94.600
      },
      {
        "type": "Redundancy",
        "value": 5.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "number_observations": 2010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.537
        },
        {
          "type": "I/SigI",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "number_observations": 3098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.505
        },
        {
          "type": "I/SigI",
          "value": 1.528
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.72],
      "number_observations": 3485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42
        },
        {
          "type": "I/SigI",
          "value": 2.417
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 3459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "I/SigI",
          "value": 4.055
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.90],
      "number_observations": 3472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 5.378
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.02],
      "number_observations": 3479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 8.796
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.17],
      "number_observations": 3499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 12.408
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.39],
      "number_observations": 3457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 17.635
        }
      ]
    },
    {
      "resolution_limits": [3.45,2.74],
      "number_observations": 3497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 24.118
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.45],
      "number_observations": 3483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 23.582
        }
      ]
    }
  ]

}
  

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


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