Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "762e95b2484fde2b1dbc15ffa47b1dbb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 62.832,
"b": 90.340,
"c": 63.555,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95366],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.170,1.740],
"number_observations": 110092,
"number_observations_unique": 18907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 5680,
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [45.170,9.030],
"number_observations": 835,
"number_observations_unique": 165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}