Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48c0ada0acb021f479797e8d2e8e6f2e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.34,
"b": 98.89,
"c": 98.28,
"alpha": 90.0,
"beta": 105.9,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 98810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations_unique": 9775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 9866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations_unique": 9831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations_unique": 9875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.270,2.130],
"number_observations_unique": 9879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.440,2.270],
"number_observations_unique": 9910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.690,2.440],
"number_observations_unique": 9868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.080,2.690],
"number_observations_unique": 9925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.880,3.080],
"number_observations_unique": 9934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [50.000,3.880],
"number_observations_unique": 9947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
}
]
}