Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e30b2a18147fd851bae4b9c3b9737b7",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 66.923,
"b": 66.923,
"c": 99.387,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 29510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations_unique": 2980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations_unique": 2986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations_unique": 3010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations_unique": 3014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations_unique": 3028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations_unique": 3027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations_unique": 2889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [50.000,3.450],
"number_observations_unique": 2619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 11.200
}
]
}
]
}