Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7c96437a90bb6f4ee41afb301ffa3320",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.152,
"b": 167.528,
"c": 136.966,
"alpha": 90.00,
"beta": 92.51,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [136.830,2.570],
"number_observations": 473790,
"number_observations_unique": 94574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.570],
"number_observations": 23762,
"number_observations_unique": 4685,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.739
},
{
"type": "R(meas)",
"value": 3.079
},
{
"type": "R(pim)",
"value": 1.384
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [136.830,14.080],
"number_observations": 2751,
"number_observations_unique": 609,
"quality_factors": [
{
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
}
]
}