Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c52418450c964309f22b905fe1a6e634",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.46,
"b": 85.18,
"c": 174.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.47000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.840,1.750],
"number_observations": 635999,
"number_observations_unique": 100509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.750],
"number_observations": 67014,
"number_observations_unique": 11157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 70.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [33.840,5.540],
"number_observations": 24684,
"number_observations_unique": 3647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}