Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd9fd7e63ff99d620e0073d93c628fbc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.349,
"b": 65.369,
"c": 84.429,
"alpha": 90.00,
"beta": 93.45,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.550,1.610],
"number_observations": 280974,
"number_observations_unique": 96034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.610],
"number_observations": 29016,
"number_observations_unique": 13808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.895
},
{
"type": "R(meas)",
"value": 1.165
},
{
"type": "R(pim)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [68.550,5.090],
"number_observations": 10406,
"number_observations_unique": 3152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}