Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d698337b1f0b33cfb9b8a2ffb0c6cc96",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 67.492,
"b": 67.492,
"c": 51.791,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.350],
"number_observations": 271880,
"number_observations_unique": 13545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.855
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
}
]
},
{
"resolution_limits": [1.400,1.370],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.000
}
]
},
{
"resolution_limits": [1.430,1.400],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
}
]
},
{
"resolution_limits": [1.450,1.430],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
}
]
},
{
"resolution_limits": [1.490,1.450],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
}
]
},
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.700
}
]
},
{
"resolution_limits": [1.560,1.520],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
}
]
},
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
}
]
},
{
"resolution_limits": [1.650,1.600],
"number_observations_unique": 672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
}
]
},
{
"resolution_limits": [1.920,1.830],
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
}
]
},
{
"resolution_limits": [2.020,1.920],
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [2.140,2.020],
"number_observations_unique": 672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
}
]
},
{
"resolution_limits": [2.310,2.140],
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
}
]
},
{
"resolution_limits": [2.540,2.310],
"number_observations_unique": 687,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [2.910,2.540],
"number_observations_unique": 693,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.700
}
]
},
{
"resolution_limits": [3.660,2.910],
"number_observations_unique": 706,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
}
]
},
{
"resolution_limits": [50.000,3.660],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.100
}
]
}
]
}