Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e058d720b4d85f82d62408092efdd2d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 78.139,
"b": 147.337,
"c": 87.637,
"alpha": 90.00,
"beta": 102.78,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.390,1.560],
"number_observations": 881493,
"number_observations_unique": 273569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.560],
"number_observations": 85387,
"number_observations_unique": 39585,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.240
},
{
"type": "R(meas)",
"value": 1.577
},
{
"type": "R(pim)",
"value": 0.958
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [64.390,4.920],
"number_observations": 34213,
"number_observations_unique": 8852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}