Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f49fd642b8ede20c240cd05bb66deb1a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.907,
"b": 64.565,
"c": 128.644,
"alpha": 90.00,
"beta": 113.07,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.420,1.900],
"number_observations": 249859,
"number_observations_unique": 59758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 16538,
"number_observations_unique": 3859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [46.420,9.110],
"number_observations": 2490,
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 69.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}