Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "caa299c2f41e6a175f20dde362b974e9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 128.184,
"b": 239.719,
"c": 131.909,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.280,3.000],
"number_observations": 271542,
"number_observations_unique": 41018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.120,3.000],
"number_observations": 30218,
"number_observations_unique": 4562,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.475
},
{
"type": "R(meas)",
"value": 1.601
},
{
"type": "R(pim)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [47.280,10.820],
"number_observations": 5194,
"number_observations_unique": 955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}