Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "854c65bffadf34aa580550ff53ec1321",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 125.324,
"b": 203.287,
"c": 207.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.74013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.360,1.950],
"number_observations": 3760949,
"number_observations_unique": 373157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations": 138894,
"number_observations_unique": 17142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [49.360,10.680],
"number_observations": 25835,
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}