Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a7128e82d68dd91c4854a2b955f55cc",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 67.74,
"b": 67.74,
"c": 101.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.030,1.270],
"number_observations": 117979,
"number_observations_unique": 62422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 5336,
"number_observations_unique": 2817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [29.030,6.970],
"number_observations": 728,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}