Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28611a2ca83c48b2996d0d390ad1e28d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.38,
"b": 74.57,
"c": 92.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.150,1.920],
"number_observations": 97605,
"number_observations_unique": 34287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 6561,
"number_observations_unique": 2247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [58.150,9.020],
"number_observations": 1155,
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}