Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ed48422280a776dbd20c901a1af745d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.791,
"b": 92.021,
"c": 96.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.640,1.700],
"number_observations": 507763,
"number_observations_unique": 74006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 24521,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.558
},
{
"type": "R(meas)",
"value": 1.700
},
{
"type": "R(pim)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [96.640,9.000],
"number_observations": 3469,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}