Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb72daec74604c6f3a48cb2b372e0b78",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.35,
"b": 41.35,
"c": 72.13,
"alpha": 90.00,
"beta": 104.15,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.350,1.1290],
"number_observations": 631318,
"number_observations_unique": 87598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.1290],
"number_observations": 25569,
"number_observations_unique": 4193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [41.350,6.180],
"number_observations": 3277,
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}