Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b50eca976180d43ed7bc2ee06fd6c506",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.183,
"b": 147.674,
"c": 157.199,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.380,2.830],
"number_observations": 387606,
"number_observations_unique": 28690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.830],
"number_observations": 55659,
"number_observations_unique": 4029,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.293
},
{
"type": "R(meas)",
"value": 1.342
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [49.380,8.950],
"number_observations": 12026,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}