Data quality metrics extracted from 3mx3.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": "f4610bf1b4c1cc3988a0cb1fb61c4511",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 153.350,
    "b": 87.876,
    "c": 78.253,
    "alpha": 90.00,
    "beta": 116.66,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97925,0.97913],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.182,2.00],
    "number_observations_unique": 61624,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 6.350
      },
      {
        "type": "Completeness",
        "value": 95.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations": 17313,
      "number_observations_unique": 11175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 92.10
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.07],
      "number_observations": 17679,
      "number_observations_unique": 11336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.15],
      "number_observations": 18707,
      "number_observations_unique": 12017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 94.80
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.25],
      "number_observations": 18547,
      "number_observations_unique": 11927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 95.30
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.37],
      "number_observations": 18524,
      "number_observations_unique": 11951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 95.50
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.52],
      "number_observations": 17974,
      "number_observations_unique": 11608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 96.10
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.71],
      "number_observations": 18933,
      "number_observations_unique": 12241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 96.40
        }
      ]
    },
    {
      "resolution_limits": [3.42,2.99],
      "number_observations": 18400,
      "number_observations_unique": 11925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 8.8
        },
        {
          "type": "Completeness",
          "value": 96.90
        }
      ]
    },
    {
      "resolution_limits": [4.30,3.42],
      "number_observations": 18190,
      "number_observations_unique": 11842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 13.5
        },
        {
          "type": "Completeness",
          "value": 96.60
        }
      ]
    },
    {
      "resolution_limits": [29.182,4.30],
      "number_observations": 18185,
      "number_observations_unique": 11903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 14.5
        },
        {
          "type": "Completeness",
          "value": 95.30
        }
      ]
    }
  ]

}
  

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


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