Data quality metrics extracted from 2bed.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": "c0efd7ab0eace7e46d4613c2cb3b3594",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 174.02,
    "b": 174.02,
    "c": 69.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.70],
    "number_observations_unique": 32808,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "Completeness",
        "value": 98.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.70],
      "number_observations": 3249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.487
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.80],
      "number_observations": 3274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.399
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.91],
      "number_observations": 3273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.04],
      "number_observations": 3286,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.20],
      "number_observations": 3301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.40],
      "number_observations": 3117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.66],
      "number_observations": 3248,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        }
      ]
    },
    {
      "resolution_limits": [4.62,4.03],
      "number_observations": 3347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        }
      ]
    },
    {
      "resolution_limits": [5.81,4.62],
      "number_observations": 3354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.81],
      "number_observations": 3359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        }
      ]
    }
  ]

}
  

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


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