Data quality metrics extracted from 3n0w.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": "8497c0a1b491e4bd7a46a6f2a42ea460",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.545,
    "b": 58.269,
    "c": 145.338,
    "alpha": 90.00,
    "beta": 98.96,
    "gamma": 90.00
  },
  "wavelengths": [0.91162,0.97915,0.97898],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.134,1.88],
    "number_observations_unique": 62570,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 6.930
      },
      {
        "type": "Completeness",
        "value": 91.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations": 11456,
      "number_observations_unique": 7664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.558
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 57.30
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "number_observations": 18296,
      "number_observations_unique": 12526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.423
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 96.80
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "number_observations": 17718,
      "number_observations_unique": 12114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 97.40
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "number_observations": 17945,
      "number_observations_unique": 12249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 97.40
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "number_observations": 18307,
      "number_observations_unique": 12460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 97.10
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 19107,
      "number_observations_unique": 12904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 97.10
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "number_observations": 18389,
      "number_observations_unique": 12452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 6.9
        },
        {
          "type": "Completeness",
          "value": 96.30
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "number_observations": 18214,
      "number_observations_unique": 12228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 95.50
        }
      ]
    },
    {
      "resolution_limits": [4.08,3.25],
      "number_observations": 17683,
      "number_observations_unique": 11896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 14.5
        },
        {
          "type": "Completeness",
          "value": 93.20
        }
      ]
    },
    {
      "resolution_limits": [29.134,4.08],
      "number_observations": 18070,
      "number_observations_unique": 11992,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 18.9
        },
        {
          "type": "Completeness",
          "value": 92.20
        }
      ]
    }
  ]

}
  

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


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