Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cef895c25fb81b2e169eba08ffe09648",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.538,
"b": 87.346,
"c": 153.629,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.900,2.690],
"number_observations": 110981,
"number_observations_unique": 26012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.690],
"number_observations": 7686,
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.085
},
{
"type": "R(meas)",
"value": 1.248
},
{
"type": "R(pim)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [61.900,12.030],
"number_observations": 1401,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}