Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68620b1a46c7907bcf4d4567568a7489",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.24,
"b": 66.97,
"c": 113.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.940,2.150],
"number_observations": 239084,
"number_observations_unique": 37173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.150],
"number_observations": 33055,
"number_observations_unique": 5378,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.128
},
{
"type": "R(meas)",
"value": 2.320
},
{
"type": "R(pim)",
"value": 0.909
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.375
}
]
},
{
"resolution_limits": [101.940,6.790],
"number_observations": 7770,
"number_observations_unique": 1257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}