Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "818679c3386bcb0ceacd5a4f360f938b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.197,
"b": 69.361,
"c": 118.137,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.2,2.36],
"number_observations": 51552,
"number_observations_unique": 8764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.444,2.36],
"number_observations": 1707,
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.463
},
{
"type": "R(meas)",
"value": 1.606
},
{
"type": "R(pim)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 46.300
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [46.199,6.138],
"number_observations": 2263,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}