Data quality metrics extracted from 3lm2.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": "c8314f03da12b52ba0738e35dd2e3b7c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.907,
    "b": 49.598,
    "c": 57.328,
    "alpha": 97.98,
    "beta": 104.64,
    "gamma": 109.97
  },
  "wavelengths": [0.96109,0.97949,0.97936],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.130,1.70],
    "number_observations_unique": 48619,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 6.160
      },
      {
        "type": "Completeness",
        "value": 85.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations": 8968,
      "number_observations_unique": 7931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 77.90
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations": 9596,
      "number_observations_unique": 8477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 83.40
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "number_observations": 9530,
      "number_observations_unique": 8461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 84.00
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "number_observations": 10563,
      "number_observations_unique": 9466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 84.90
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "number_observations": 9258,
      "number_observations_unique": 8354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 85.80
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "number_observations": 10050,
      "number_observations_unique": 9141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 6.4
        },
        {
          "type": "Completeness",
          "value": 86.20
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "number_observations": 9704,
      "number_observations_unique": 8914,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 87.60
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.54],
      "number_observations": 9672,
      "number_observations_unique": 8961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 8.5
        },
        {
          "type": "Completeness",
          "value": 88.70
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.90],
      "number_observations": 9938,
      "number_observations_unique": 9371,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 9.5
        },
        {
          "type": "Completeness",
          "value": 89.70
        }
      ]
    },
    {
      "resolution_limits": [29.130,3.66],
      "number_observations": 9494,
      "number_observations_unique": 9136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 10.0
        },
        {
          "type": "Completeness",
          "value": 88.40
        }
      ]
    }
  ]

}
  

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


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