Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78405dbf783ba2e07b1f23fceaed977f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.322,
"b": 38.685,
"c": 44.873,
"alpha": 90.000,
"beta": 98.271,
"gamma": 90.000
},
"wavelengths": [0.94840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.010,1.110],
"number_observations": 495655,
"number_observations_unique": 39057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.110],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 55.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [10.0,6.090],
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}