Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be30afc33a6d6d9069b63ad90c7a0dad",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.54,
"b": 54.54,
"c": 75.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.640,1.420],
"number_observations": 274063,
"number_observations_unique": 41549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 19386,
"number_observations_unique": 3099,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.495
},
{
"type": "R(meas)",
"value": 1.631
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [37.640,6.350],
"number_observations": 3132,
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}