Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3816079a92becf6cced7b01117a83d8",
"space_group_name": "H 3",
"unit_cell": {
"a": 46.621,
"b": 46.621,
"c": 138.830,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.277,1.337],
"number_observations_unique": 25129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.337],
"number_observations": 8392,
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [1.490,1.410],
"number_observations": 18047,
"number_observations_unique": 3530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.600,1.490],
"number_observations": 16274,
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.720,1.600],
"number_observations": 16417,
"number_observations_unique": 3123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.890,1.720],
"number_observations": 14180,
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.110,1.890],
"number_observations": 13588,
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.440,2.110],
"number_observations": 11484,
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.990,2.440],
"number_observations": 10274,
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [4.220,2.990],
"number_observations": 7278,
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [46.277,4.220],
"number_observations": 3957,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}