Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30904047e6dfe60fd729df9ba6200c5b",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 123.841,
"b": 123.841,
"c": 83.291,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.190,2.070],
"number_observations": 250602,
"number_observations_unique": 20017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.070],
"number_observations": 18603,
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.005
},
{
"type": "R(meas)",
"value": 1.049
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [29.190,9.020],
"number_observations": 2983,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}