Data quality metrics extracted from 2a9c.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": "b6e42d2f7e2d3e4b8f33614688e74fd7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.905,
    "b": 122.572,
    "c": 55.180,
    "alpha": 90.00,
    "beta": 94.97,
    "gamma": 90.00
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.50],
    "number_observations_unique": 23882,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "Completeness",
        "value": 97.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations": 2361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.52
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.59],
      "number_observations": 2346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.69],
      "number_observations": 2361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.82],
      "number_observations": 2393,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.96],
      "number_observations": 2366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.15],
      "number_observations": 2407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.39],
      "number_observations": 2363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.73],
      "number_observations": 2394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        }
      ]
    },
    {
      "resolution_limits": [5.38,4.27],
      "number_observations": 2439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        }
      ]
    },
    {
      "resolution_limits": [30.00,5.38],
      "number_observations": 2452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        }
      ]
    }
  ]

}
  

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


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