Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9264f77934bc90ef914b319c9287bc74",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.917,
"b": 68.977,
"c": 126.748,
"alpha": 90.00,
"beta": 89.99,
"gamma": 90.00
},
"wavelengths": [0.95368],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [126.750,1.700],
"number_observations": 941610,
"number_observations_unique": 115301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 36345,
"number_observations_unique": 5378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [126.750,9.310],
"number_observations": 6153,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}