Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e66a6ef82940ec041f4ac1ef60298340",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.57,
"b": 65.29,
"c": 84.29,
"alpha": 90.00,
"beta": 93.65,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.120,1.540],
"number_observations": 304837,
"number_observations_unique": 108493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 13517,
"number_observations_unique": 7585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.494
}
]
},
{
"resolution_limits": [84.120,6.890],
"number_observations": 4043,
"number_observations_unique": 1289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}