Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdb320bb4be64158fff8b9cfb61af11b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.301,
"b": 47.278,
"c": 46.588,
"alpha": 90.00,
"beta": 103.56,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.280,1.580],
"number_observations": 40701,
"number_observations_unique": 14953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 1657,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.820
},
{
"type": "R(meas)",
"value": 1.048
},
{
"type": "R(pim)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [47.280,8.650],
"number_observations": 274,
"number_observations_unique": 98,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}