Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a918c03cbb878db9059aa96efb9af29a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 60.523,
"b": 101.004,
"c": 82.627,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.500,3.000],
"number_observations": 18007,
"number_observations_unique": 5163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 3017,
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.500,9.000],
"number_observations": 659,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}