Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ff677fc68f28b18f785b7fe4708ca87",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.225,
"b": 52.701,
"c": 44.634,
"alpha": 90.00,
"beta": 102.89,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.620,1.740],
"number_observations": 93651,
"number_observations_unique": 26172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 4478,
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.462
},
{
"type": "R(meas)",
"value": 1.762
},
{
"type": "R(pim)",
"value": 0.966
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.293
}
]
},
{
"resolution_limits": [54.620,9.030],
"number_observations": 797,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}