Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62b4d5feafbe21a01beb068338e10c89",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 133.107,
"b": 133.107,
"c": 77.796,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations_unique": 134915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations_unique": 10563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.52
},
{
"type": "Completeness",
"value": 77.200
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations_unique": 13616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 3.78
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations_unique": 13680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 5.30
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations_unique": 13731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 7.45
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations_unique": 13733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 10.15
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations_unique": 13763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 14.43
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.090,1.900],
"number_observations_unique": 13825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 20.58
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.390,2.090],
"number_observations_unique": 13853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 26.99
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.020,2.390],
"number_observations_unique": 13989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 34.11
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,3.020],
"number_observations_unique": 14162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 41.99
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}