Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77d7f34bd815d03790180a0fd7809ece",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.145,
"b": 70.281,
"c": 85.587,
"alpha": 102.73,
"beta": 96.54,
"gamma": 112.33
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.420,1.890],
"number_observations": 315726,
"number_observations_unique": 93877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.890],
"number_observations": 13044,
"number_observations_unique": 4441,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.441
},
{
"type": "R(meas)",
"value": 1.779
},
{
"type": "R(pim)",
"value": 1.019
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [81.420,10.340],
"number_observations": 2244,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 42.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}