Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17a653ff96a3f973105a12790185e888",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.665,
"b": 104.710,
"c": 63.884,
"alpha": 90.00,
"beta": 93.96,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.758,2.500],
"number_observations_unique": 17440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.64,2.50],
"number_observations": 3926,
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 75.50
},
{
"type": "Redundancy",
"value": 1.70
}
]
},
{
"resolution_limits": [2.80,2.64],
"number_observations": 3708,
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 77.00
},
{
"type": "Redundancy",
"value": 1.70
}
]
},
{
"resolution_limits": [2.99,2.80],
"number_observations": 3395,
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 78.40
},
{
"type": "Redundancy",
"value": 1.60
}
]
},
{
"resolution_limits": [3.23,2.99],
"number_observations": 3235,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 80.30
},
{
"type": "Redundancy",
"value": 1.60
}
]
},
{
"resolution_limits": [3.54,3.23],
"number_observations": 3271,
"number_observations_unique": 2026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 86.30
},
{
"type": "Redundancy",
"value": 1.60
}
]
},
{
"resolution_limits": [3.95,3.54],
"number_observations": 3551,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 90.10
},
{
"type": "Redundancy",
"value": 1.80
}
]
},
{
"resolution_limits": [4.56,3.95],
"number_observations": 3751,
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 89.50
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [5.59,4.56],
"number_observations": 3580,
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 88.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [7.91,5.59],
"number_observations": 3116,
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 85.80
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [36.47,7.91],
"number_observations": 1645,
"number_observations_unique": 566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 81.20
},
{
"type": "Redundancy",
"value": 2.90
}
]
}
]
}