Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79cc8af7776afaba8b14e857746a5a9b",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 102.963,
"b": 102.963,
"c": 167.763,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.220,1.720],
"number_observations": 5180774,
"number_observations_unique": 96171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 53.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 256581,
"number_observations_unique": 4713,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.142
},
{
"type": "R(meas)",
"value": 9.227
},
{
"type": "R(pim)",
"value": 1.244
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 54.400
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [49.220,9.420],
"number_observations": 31568,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 77.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 44.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}