Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0305412ad8eb7c77068c35721fa925b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 124.30,
"b": 111.41,
"c": 124.36,
"alpha": 90.00,
"beta": 119.94,
"gamma": 90.00
},
"wavelengths": [1.26522],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.190,2.750],
"number_observations_unique": 146681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.750],
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.848
},
{
"type": "R(meas)",
"value": 1.987
},
{
"type": "R(pim)",
"value": 0.727
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [34.190,13.470],
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}