Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "721112b91232b13b9b9b165803bd59f2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.923,
"b": 53.751,
"c": 115.119,
"alpha": 90.00,
"beta": 101.06,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.940,1.900],
"number_observations": 286886,
"number_observations_unique": 42049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 2735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 11.286
},
{
"type": "R(pim)",
"value": 4.222
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.081
}
]
},
{
"resolution_limits": [38.940,9.110],
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}