Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57ec0d74638a34c86ac62826d27db24b",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 128.415,
"b": 128.415,
"c": 110.785,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91837,0.97922,0.97889],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.487,2.12],
"number_observations_unique": 60126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.120],
"number_observations": 49900,
"number_observations_unique": 8674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.370,2.230],
"number_observations": 47314,
"number_observations_unique": 8224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.530,2.370],
"number_observations": 44828,
"number_observations_unique": 7774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.740,2.530],
"number_observations": 41594,
"number_observations_unique": 7210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations": 38416,
"number_observations_unique": 6658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations": 34804,
"number_observations_unique": 6039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations": 30829,
"number_observations_unique": 5362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations": 26031,
"number_observations_unique": 4556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [6.700,4.740],
"number_observations": 20166,
"number_observations_unique": 3574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [78.487,6.700],
"number_observations": 10974,
"number_observations_unique": 2055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
}
]
}