Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e876ffd41ce4eae96859783221f3919d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.521,
"b": 64.839,
"c": 74.987,
"alpha": 90.00,
"beta": 126.12,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.710,1.730],
"number_observations": 178640,
"number_observations_unique": 46918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 9373,
"number_observations_unique": 2488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [34.710,8.980],
"number_observations": 1310,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}