Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e4d58737d5fde6e2a028cd15ce2bf9c",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.655,
"b": 88.655,
"c": 39.521,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.330,0.990],
"number_observations": 1097353,
"number_observations_unique": 169620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 38646,
"number_observations_unique": 7725,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.753
},
{
"type": "R(meas)",
"value": 1.959
},
{
"type": "R(pim)",
"value": 0.854
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [44.330,5.420],
"number_observations": 7948,
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 77.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}