Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d7ab595a8cfcaada2725087a2861aec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.777,
"b": 44.904,
"c": 119.921,
"alpha": 90.00,
"beta": 90.03,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.970,1.800],
"number_observations": 488930,
"number_observations_unique": 37885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 19312,
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [39.970,9.000],
"number_observations": 2076,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}