Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63401ce8d896addc1010b1b1e9017e14",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.477,
"b": 50.612,
"c": 93.528,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.610,1.500],
"number_observations": 443937,
"number_observations_unique": 34335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 20089,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.952
},
{
"type": "R(meas)",
"value": 0.993
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [50.610,8.220],
"number_observations": 2945,
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 67.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}