Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bac13c4775df0d89ba581d69ac20d5d9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.810,
"b": 75.790,
"c": 173.999,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.000,2.200],
"number_observations": 231097,
"number_observations_unique": 44996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 15221,
"number_observations_unique": 3808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [87.000,9.070],
"number_observations": 3599,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}