Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aed693eade2895c44943c202eed0550e",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 112.188,
"b": 112.188,
"c": 428.268,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.69,3.500],
"number_observations_unique": 21168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 13.130
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.60,3.50],
"number_observations": 18102,
"number_observations_unique": 1668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.70,3.60],
"number_observations": 16033,
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.80,3.70],
"number_observations": 14452,
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.90,3.80],
"number_observations": 13005,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.00,3.90],
"number_observations": 11863,
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [5.00,4.00],
"number_observations": 72706,
"number_observations_unique": 6809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [6.00,5.00],
"number_observations": 32145,
"number_observations_unique": 3069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [7.00,6.00],
"number_observations": 16475,
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [10.00,7.00],
"number_observations": 18274,
"number_observations_unique": 1827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [15.00,10.00],
"number_observations": 6730,
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.9
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [20.00,15.00],
"number_observations": 1633,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 43.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [49.69,20.00],
"number_observations": 1102,
"number_observations_unique": 148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 43.1
},
{
"type": "Completeness",
"value": 91.40
}
]
}
]
}