Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d5c2b99bd1efacc95a121a826e371247",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 93.698,
"b": 93.698,
"c": 331.612,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.27,1.80],
"number_observations_unique": 137723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [55.27,9.86],
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 41.4
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 23.1
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 6704,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.239
},
{
"type": "R(meas)",
"value": 2.323
},
{
"type": "R(pim)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.3
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
}
]
}