Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89cc1154e1bd55039be9714274e8289f",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 92.642,
"b": 92.642,
"c": 223.408,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.320,2.670],
"number_observations": 133307,
"number_observations_unique": 16691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.670],
"number_observations": 18143,
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.714
},
{
"type": "R(meas)",
"value": 3.952
},
{
"type": "R(pim)",
"value": 1.336
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
},
{
"resolution_limits": [46.320,8.860],
"number_observations": 3494,
"number_observations_unique": 541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}