Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f529466f6f49ed2f7cfcefa99ea67d40",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.440,
"b": 39.130,
"c": 55.663,
"alpha": 90.00,
"beta": 100.91,
"gamma": 90.00
},
"wavelengths": [0.97879],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.561,1.95],
"number_observations_unique": 16953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 11.540
},
{
"type": "Completeness",
"value": 89.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.950],
"number_observations": 3873,
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 50.800
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations": 6211,
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 69.800
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 9148,
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 86.200
}
]
},
{
"resolution_limits": [2.310,2.200],
"number_observations": 11572,
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.460,2.310],
"number_observations": 12964,
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.650,2.460],
"number_observations": 12083,
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.910,2.650],
"number_observations": 12255,
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.330,2.910],
"number_observations": 12126,
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [4.190,3.330],
"number_observations": 11996,
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [44.561,4.190],
"number_observations": 12425,
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 98.300
}
]
}
]
}