Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47ec8e63d682e18f1651bf41100d64f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.969,
"b": 101.738,
"c": 132.859,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35,1.5],
"number_observations_unique": 184180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.50],
"number_observations": 102029,
"number_observations_unique": 19193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.988
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 68.70
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.68,1.58],
"number_observations": 268454,
"number_observations_unique": 25564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [1.79,1.68],
"number_observations": 330381,
"number_observations_unique": 24965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [1.94,1.79],
"number_observations": 303793,
"number_observations_unique": 23226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [2.12,1.94],
"number_observations": 276828,
"number_observations_unique": 21511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [2.37,2.12],
"number_observations": 250137,
"number_observations_unique": 19565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.80
}
]
},
{
"resolution_limits": [2.74,2.37],
"number_observations": 227832,
"number_observations_unique": 17325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [3.35,2.74],
"number_observations": 209618,
"number_observations_unique": 14750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [4.74,3.35],
"number_observations": 169032,
"number_observations_unique": 11529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.70
}
]
},
{
"resolution_limits": [44.28,4.74],
"number_observations": 92781,
"number_observations_unique": 6552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 14.20
}
]
}
]
}