Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54860b9dcaed5779963e148a8c7bbe55",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.963,
"b": 96.302,
"c": 99.950,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.720,1.650],
"number_observations": 455501,
"number_observations_unique": 71442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations": 45254,
"number_observations_unique": 7370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [19.720,6.170],
"number_observations": 8831,
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}