Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ed0cfc978d1861b413352d85f6e1e3e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 43.784,
"b": 75.799,
"c": 72.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.910,1.950],
"number_observations": 119364,
"number_observations_unique": 17257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8328,
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.883
},
{
"type": "R(meas)",
"value": 0.957
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [37.910,8.940],
"number_observations": 1247,
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}