Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3ae931893ab7527582c7904915447b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.003,
"b": 56.180,
"c": 101.452,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.340,1.740],
"number_observations": 190694,
"number_observations_unique": 31726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.740],
"number_observations": 35850,
"number_observations_unique": 5719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.766
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [21.340,4.920],
"number_observations": 10085,
"number_observations_unique": 1574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}