Data quality metrics extracted from 2p2s.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": "145c4c81eff2d020ad27845a62caa7e3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 188.05,
    "b": 45.83,
    "c": 87.97,
    "alpha": 90.0,
    "beta": 116.4,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,0.91837,0.97945,0.97927],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.891,1.25],
    "number_observations_unique": 184625,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 12.560
      },
      {
        "type": "Completeness",
        "value": 95.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.30,1.25],
      "number_observations": 54562,
      "number_observations_unique": 18354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 89.30
        }
      ]
    },
    {
      "resolution_limits": [1.36,1.30],
      "number_observations": 56953,
      "number_observations_unique": 19012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.411
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 91.40
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.36],
      "number_observations": 56579,
      "number_observations_unique": 18800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 93.50
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.43],
      "number_observations": 59392,
      "number_observations_unique": 19653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.52],
      "number_observations": 61794,
      "number_observations_unique": 20345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Completeness",
          "value": 96.80
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.64],
      "number_observations": 62705,
      "number_observations_unique": 20546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 10.6
        },
        {
          "type": "Completeness",
          "value": 97.90
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.81],
      "number_observations": 66902,
      "number_observations_unique": 19966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 17.3
        },
        {
          "type": "Completeness",
          "value": 98.10
        }
      ]
    },
    {
      "resolution_limits": [47.891,2.07],
      "number_observations": 114811,
      "number_observations_unique": 20374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 26.1
        },
        {
          "type": "Completeness",
          "value": 98.80
        }
      ]
    }
  ]

}
  

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


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