Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf15b6db7a88fb3dc61f6abb8e0dce06",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 66.74,
"b": 66.74,
"c": 456.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91837,0.97951],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.709,1.90],
"number_observations_unique": 95241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.140
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations": 57286,
"number_observations_unique": 18305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations": 57488,
"number_observations_unique": 18056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations": 55023,
"number_observations_unique": 17340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations": 55527,
"number_observations_unique": 17410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations": 57441,
"number_observations_unique": 17944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations": 59311,
"number_observations_unique": 18464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations": 57412,
"number_observations_unique": 17851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.25,2.84],
"number_observations": 56955,
"number_observations_unique": 17849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.08,3.25],
"number_observations": 55287,
"number_observations_unique": 17720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [29.709,4.08],
"number_observations": 55359,
"number_observations_unique": 18040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 99.10
}
]
}
]
}