Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69d92528da5dd3a0bb1e0b15fbdfb838",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 134.852,
"b": 65.844,
"c": 83.867,
"alpha": 90.00,
"beta": 103.76,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.860,1.860],
"number_observations": 191567,
"number_observations_unique": 60012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 12007,
"number_observations_unique": 4425,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.006
},
{
"type": "R(meas)",
"value": 1.259
},
{
"type": "R(pim)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [58.860,8.320],
"number_observations": 2273,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}