Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2851f146a082a1c9a80575a0c8e15948",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.52,
"b": 94.94,
"c": 104.52,
"alpha": 90.00,
"beta": 105.06,
"gamma": 90.00
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.015,2.600],
"number_observations_unique": 34587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.600],
"number_observations": 16654,
"number_observations_unique": 4961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.910,2.740],
"number_observations": 17226,
"number_observations_unique": 4765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.110,2.910],
"number_observations": 16283,
"number_observations_unique": 4506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.360,3.110],
"number_observations": 14928,
"number_observations_unique": 4155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.680,3.360],
"number_observations": 13832,
"number_observations_unique": 3856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.110,3.680],
"number_observations": 12442,
"number_observations_unique": 3487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.750,4.110],
"number_observations": 10918,
"number_observations_unique": 3085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [5.810,4.750],
"number_observations": 9024,
"number_observations_unique": 2602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [8.220,5.810],
"number_observations": 6589,
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.5
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [101.015,8.220],
"number_observations": 4151,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}