Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90ac7d0fdc7ff00f4a94a130e7576bed",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 58.410,
"b": 58.410,
"c": 230.814,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.600],
"number_observations_unique": 7693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.600],
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.740,2.690],
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [2.800,2.740],
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.860,2.800],
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.930,2.860],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [3.000,2.930],
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
}
]
},
{
"resolution_limits": [3.080,3.000],
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.700
}
]
},
{
"resolution_limits": [3.170,3.080],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
}
]
},
{
"resolution_limits": [3.280,3.170],
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
}
]
},
{
"resolution_limits": [3.390,3.280],
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
}
]
},
{
"resolution_limits": [3.530,3.390],
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
}
]
},
{
"resolution_limits": [3.690,3.530],
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
}
]
},
{
"resolution_limits": [3.880,3.690],
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.000
}
]
},
{
"resolution_limits": [4.130,3.880],
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.000
}
]
},
{
"resolution_limits": [4.450,4.130],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
}
]
},
{
"resolution_limits": [4.890,4.450],
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.800
}
]
},
{
"resolution_limits": [5.600,4.890],
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
{
"resolution_limits": [7.050,5.600],
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.900
}
]
},
{
"resolution_limits": [50.000,7.050],
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 16.100
}
]
}
]
}