Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9838d5eb48f2deb03547e7c67e768d37",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.47,
"b": 99.47,
"c": 99.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.170,1.570],
"number_observations": 242557,
"number_observations_unique": 26616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 13273,
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.904
},
{
"type": "R(meas)",
"value": 2.062
},
{
"type": "R(pim)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [65.170,7.020],
"number_observations": 2965,
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 52.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}