Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08f1cf22c5d07480012757abd2a8f0b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.056,
"b": 94.600,
"c": 132.587,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [132.590,1.740],
"number_observations": 904402,
"number_observations_unique": 110402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 37591,
"number_observations_unique": 5207,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.078
},
{
"type": "R(meas)",
"value": 1.160
},
{
"type": "R(pim)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [132.590,9.510],
"number_observations": 5729,
"number_observations_unique": 774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}