Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "678b0ea5f8392768ec68fc56da3173a4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.218,
"b": 83.178,
"c": 58.591,
"alpha": 90.00,
"beta": 108.56,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.150,1.600],
"number_observations": 387314,
"number_observations_unique": 62020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 8622,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.922
},
{
"type": "R(meas)",
"value": 2.185
},
{
"type": "R(pim)",
"value": 1.020
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 60.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [83.150,8.760],
"number_observations": 2634,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 67.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}