Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "821d807c68d530630068ecf0f2fb7036",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.178,
"b": 74.761,
"c": 101.136,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.570,1.500],
"number_observations_unique": 50123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.906
},
{
"type": "R(meas)",
"value": 1.979
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [50.600,4.070],
"number_observations_unique": 2770,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 48.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
}
]
}