Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa5df5c9a8a4313f4ae3cba752c9a971",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.907,
"b": 73.724,
"c": 95.727,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.910,1.320],
"number_observations": 286924,
"number_observations_unique": 58753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 13737,
"number_observations_unique": 2829,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.446
},
{
"type": "R(meas)",
"value": 1.621
},
{
"type": "R(pim)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.430
}
]
},
{
"resolution_limits": [35.910,7.230],
"number_observations": 1969,
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}