Data quality metrics extracted from 2h2w.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": "968bbc2eb71c3623b0f7adcbf76f5e03",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 72.609,
    "b": 72.609,
    "c": 126.913,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.3,2.520],
    "number_observations_unique": 13643,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 18.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 10.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.52],
      "number_observations_unique": 1327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 6.10
        },
        {
          "type": "Completeness",
          "value": 99.70
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.61],
      "number_observations_unique": 1331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.71],
      "number_observations_unique": 1338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.84],
      "number_observations_unique": 1348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.99],
      "number_observations_unique": 1347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        }
      ]
    },
    {
      "resolution_limits": [3.42,3.17],
      "number_observations_unique": 1346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.42],
      "number_observations_unique": 1354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        }
      ]
    },
    {
      "resolution_limits": [4.31,3.76],
      "number_observations_unique": 1381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        }
      ]
    },
    {
      "resolution_limits": [5.43,4.31],
      "number_observations_unique": 1388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.43],
      "number_observations_unique": 1483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        }
      ]
    }
  ]

}
  

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


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