Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c1c3280558e671313a8e625090e125e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.552,
"b": 41.716,
"c": 110.859,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.860,1.090],
"number_observations": 297418,
"number_observations_unique": 62590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.090],
"number_observations": 7347,
"number_observations_unique": 5583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 57.400
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [110.860,3.450],
"number_observations": 13651,
"number_observations_unique": 2339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}