Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d92f7df84bf62df0143392a5d50f4223",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.507,
"b": 42.507,
"c": 216.227,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.510,2.760],
"number_observations": 125325,
"number_observations_unique": 5757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.760],
"number_observations": 17165,
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.474
},
{
"type": "R(meas)",
"value": 4.588
},
{
"type": "R(pim)",
"value": 1.000
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [42.510,8.730],
"number_observations": 3374,
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}