Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e313ff6026f7ea6da5a6120e7e63fbe",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.405,
"b": 64.407,
"c": 74.458,
"alpha": 90.00,
"beta": 125.85,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.160,2.420],
"number_observations": 71481,
"number_observations_unique": 17287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.420],
"number_observations": 7210,
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [37.160,9.040],
"number_observations": 1288,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}