Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd923dce81675c96ea718e562902030f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 28.204,
"b": 32.434,
"c": 60.273,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.380,1.050],
"number_observations_unique": 26325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations": 3565,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [17.380,5.740],
"number_observations": 554,
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}