Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35dbe6b9c9c50f96f0a36d971519479e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.585,
"b": 52.610,
"c": 44.852,
"alpha": 90.00,
"beta": 103.09,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.840,1.650],
"number_observations": 107131,
"number_observations_unique": 30785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 4358,
"number_observations_unique": 1519,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.463
},
{
"type": "R(meas)",
"value": 1.777
},
{
"type": "R(pim)",
"value": 0.994
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [54.840,9.040],
"number_observations": 774,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}