Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc3eaa3003b3245c14d023f9ae4c7ab1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.413,
"b": 80.054,
"c": 124.728,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.540],
"number_observations": 526978,
"number_observations_unique": 72340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 3544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 3562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 3597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 3565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.880,1.830],
"number_observations_unique": 3599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.940,1.880],
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.010,1.940],
"number_observations_unique": 3597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.090,2.010],
"number_observations_unique": 3600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations_unique": 3607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.300,2.190],
"number_observations_unique": 3619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.440,2.300],
"number_observations_unique": 3614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.630,2.440],
"number_observations_unique": 3625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.900,2.630],
"number_observations_unique": 3668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.320,2.900],
"number_observations_unique": 3663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.180,3.320],
"number_observations_unique": 3718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [50.000,4.180],
"number_observations_unique": 3876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}