Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f887bead90622b8fbb8da2fe37d00ba",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.246,
"b": 71.246,
"c": 150.019,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.330,1.240],
"number_observations": 1093663,
"number_observations_unique": 106939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.240],
"number_observations": 9572,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 72.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [29.330,6.800],
"number_observations": 9001,
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}