Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "823b98272e501d053e8812c9d7879db1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.290,
"b": 41.305,
"c": 71.935,
"alpha": 90.0,
"beta": 104.4,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.680,1.600],
"number_observations": 307450,
"number_observations_unique": 31710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 8406,
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.912
},
{
"type": "R(meas)",
"value": 0.999
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [69.680,8.750],
"number_observations": 2189,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}