Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7177be78fb080c8ba6ae48b71ce922c",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.57,
"b": 67.57,
"c": 166.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.860,1.800],
"number_observations": 196607,
"number_observations_unique": 21706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11606,
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.116
},
{
"type": "R(meas)",
"value": 2.240
},
{
"type": "R(pim)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [33.860,9.000],
"number_observations": 1655,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}