Data quality metrics extracted from 2peb.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": "87a4f24795d178cc26d7b2f7aa1033f1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.562,
    "b": 57.042,
    "c": 46.676,
    "alpha": 90.00,
    "beta": 104.81,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97944,0.97913],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.400,1.46],
    "number_observations_unique": 37036,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 8.080
      },
      {
        "type": "Completeness",
        "value": 93.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.51,1.46],
      "number_observations": 4504,
      "number_observations_unique": 2759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.479
        },
        {
          "type": "I/SigI",
          "value": 1.61
        },
        {
          "type": "Completeness",
          "value": 81.10
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.51],
      "number_observations": 8316,
      "number_observations_unique": 3408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.367
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 88.30
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.57],
      "number_observations": 8957,
      "number_observations_unique": 3512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 90.60
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.64],
      "number_observations": 9527,
      "number_observations_unique": 3712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 90.00
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.73],
      "number_observations": 9177,
      "number_observations_unique": 3571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 89.80
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.84],
      "number_observations": 8786,
      "number_observations_unique": 3410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 88.60
        }
      ]
    },
    {
      "resolution_limits": [2.18,1.98],
      "number_observations": 9646,
      "number_observations_unique": 3660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 92.40
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.18],
      "number_observations": 10259,
      "number_observations_unique": 3810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 12.7
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [35.400,2.50],
      "number_observations": 10209,
      "number_observations_unique": 3706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 15.7
        },
        {
          "type": "Completeness",
          "value": 95.40
        }
      ]
    }
  ]

}
  

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


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