Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fccca2e6eb294d33414515a31dcfe615",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.071,
"b": 112.434,
"c": 62.496,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.290,1.150],
"number_observations": 1199822,
"number_observations_unique": 99856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 21485,
"number_observations_unique": 3878,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.550
},
{
"type": "R(meas)",
"value": 1.711
},
{
"type": "R(pim)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.449
}
]
},
{
"resolution_limits": [66.290,6.300],
"number_observations": 9074,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 126.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}