Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3231dedfac12a70c7c0f18751b37d395",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.27,
"b": 60.97,
"c": 65.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.700,1.850],
"number_observations": 111533,
"number_observations_unique": 17148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 8367,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.915
},
{
"type": "R(meas)",
"value": 0.991
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [44.700,8.270],
"number_observations": 1351,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}