Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6411c47199d6377c884cef028c6cdab",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.152,
"b": 74.730,
"c": 82.954,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.480,1.190],
"number_observations": 418318,
"number_observations_unique": 72524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 1627,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(meas)",
"value": 0.737
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 38.100
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.614
}
]
},
{
"resolution_limits": [41.480,6.520],
"number_observations": 3346,
"number_observations_unique": 557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 38.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}