Data quality metrics extracted from 3oqp.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": "f257a27357223873d9fa97e90a1315bc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.369,
    "b": 103.135,
    "c": 45.062,
    "alpha": 90.00,
    "beta": 98.94,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97937,0.97898],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.574,1.22],
    "number_observations_unique": 99282,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 9.460
      },
      {
        "type": "Completeness",
        "value": 95.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.260,1.220],
      "number_observations": 24994,
      "number_observations_unique": 16812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 92.100
        }
      ]
    },
    {
      "resolution_limits": [1.310,1.260],
      "number_observations": 27546,
      "number_observations_unique": 18506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.366
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 93.200
        }
      ]
    },
    {
      "resolution_limits": [1.370,1.310],
      "number_observations": 28347,
      "number_observations_unique": 18981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.295
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 94.400
        }
      ]
    },
    {
      "resolution_limits": [1.450,1.370],
      "number_observations": 31108,
      "number_observations_unique": 20806,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 95.100
        }
      ]
    },
    {
      "resolution_limits": [1.540,1.450],
      "number_observations": 28089,
      "number_observations_unique": 18747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 96.200
        }
      ]
    },
    {
      "resolution_limits": [1.660,1.540],
      "number_observations": 28555,
      "number_observations_unique": 19100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.660],
      "number_observations": 27488,
      "number_observations_unique": 18328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 9.5
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [2.090,1.820],
      "number_observations": 29362,
      "number_observations_unique": 19586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 14.7
        },
        {
          "type": "Completeness",
          "value": 96.600
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.090],
      "number_observations": 28186,
      "number_observations_unique": 18812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 20.9
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [29.574,2.630],
      "number_observations": 28035,
      "number_observations_unique": 18601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 27.9
        },
        {
          "type": "Completeness",
          "value": 94.000
        }
      ]
    }
  ]

}
  

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


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