Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01ce0f5aba3833afa940da9829ee2ecf",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 176.299,
"b": 176.299,
"c": 176.299,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.380,2.480],
"number_observations": 663176,
"number_observations_unique": 32190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.480],
"number_observations": 39960,
"number_observations_unique": 2317,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.969
},
{
"type": "R(meas)",
"value": 2.027
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [29.380,11.100],
"number_observations": 7424,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 65.600
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}