Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de206a195da5d6f4856ae8494e8baa30",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.626,
"b": 71.626,
"c": 150.720,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.490],
"number_observations": 812486,
"number_observations_unique": 64281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations": 32147,
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.902
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [29.480,7.900],
"number_observations": 6154,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 85.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}