Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c054b56371e387ac00baac5c5b42349c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 41.266,
"b": 102.663,
"c": 100.555,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98013,0.97948],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.150],
"number_observations_unique": 11706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.19,2.15],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 73.00
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [2.23,2.19],
"number_observations_unique": 484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 82.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.27,2.23],
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "Completeness",
"value": 89.30
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.32,2.27],
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 93.10
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.37,2.32],
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.48,2.42],
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [2.55,2.48],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [2.62,2.55],
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.71,2.62],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [2.80,2.71],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.92,2.80],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [3.05,2.92],
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [3.21,3.05],
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [3.41,3.21],
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [3.67,3.41],
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [4.04,3.67],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [4.61,4.04],
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [5.79,4.61],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [20.00,5.79],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 6.30
}
]
}
]
}