Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c0e0588b1ca15cdee2654d6b25ca301",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.225,
"b": 73.145,
"c": 101.845,
"alpha": 90.0,
"beta": 94.5,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.980,2.380],
"number_observations": 212254,
"number_observations_unique": 47109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.380],
"number_observations": 31109,
"number_observations_unique": 6860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [79.980,7.540],
"number_observations": 6803,
"number_observations_unique": 1562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}