Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "638ab1268f0c06ca8bac199f1dd5bd79",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.43,
"b": 127.03,
"c": 98.83,
"alpha": 90.00,
"beta": 101.33,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.680,2.300],
"number_observations": 106443,
"number_observations_unique": 54404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 1.940
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 10406,
"number_observations_unique": 5320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations": 10480,
"number_observations_unique": 5348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [2.590,2.480],
"number_observations": 10569,
"number_observations_unique": 5400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [2.730,2.590],
"number_observations": 10526,
"number_observations_unique": 5380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations": 10627,
"number_observations_unique": 5420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [3.120,2.900],
"number_observations": 10664,
"number_observations_unique": 5457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [3.430,3.120],
"number_observations": 10778,
"number_observations_unique": 5495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [3.930,3.430],
"number_observations": 10716,
"number_observations_unique": 5491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 1.930
}
]
},
{
"resolution_limits": [4.940,3.930],
"number_observations": 10877,
"number_observations_unique": 5541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 1.930
}
]
},
{
"resolution_limits": [25.680,4.940],
"number_observations": 10800,
"number_observations_unique": 5552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 1.910
}
]
}
]
}