Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1a992b95438229ebb009a4a0c1db7a4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.542,
"b": 101.707,
"c": 86.972,
"alpha": 90.00,
"beta": 102.72,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.890,2.060],
"number_observations": 521790,
"number_observations_unique": 74581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.060],
"number_observations": 39489,
"number_observations_unique": 5504,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.869
},
{
"type": "R(meas)",
"value": 2.013
},
{
"type": "R(pim)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [84.890,9.210],
"number_observations": 6320,
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}