Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "10003bca5df438e268d5f7e8e20764ea",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.270,
"b": 70.425,
"c": 86.158,
"alpha": 102.99,
"beta": 96.42,
"gamma": 112.18
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.940,2.240],
"number_observations": 196005,
"number_observations_unique": 57636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.240],
"number_observations": 14928,
"number_observations_unique": 4369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.941
},
{
"type": "R(meas)",
"value": 1.122
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [81.940,9.740],
"number_observations": 2727,
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}