Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "df7ae577c182913687b2f67c9052b6d4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.021,
"b": 101.985,
"c": 147.515,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.170,2.030],
"number_observations": 286902,
"number_observations_unique": 43803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 19377,
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.048
},
{
"type": "R(meas)",
"value": 3.336
},
{
"type": "R(pim)",
"value": 1.337
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.396
}
]
},
{
"resolution_limits": [49.170,9.090],
"number_observations": 3369,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 75.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}