Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edb5f7fa29f317a2205a91d0c3a0305c",
"space_group_name": "P 43",
"unit_cell": {
"a": 98.924,
"b": 98.924,
"c": 120.276,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.790,1.850],
"number_observations_unique": 98464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 29557,
"number_observations_unique": 4860,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.208
},
{
"type": "R(meas)",
"value": 1.323
},
{
"type": "R(pim)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [45.740,10.130],
"number_observations": 3472,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}