Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7480bf05c5e47521fb0a9ecdb8259c0b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.582,
"b": 99.699,
"c": 82.958,
"alpha": 90.00,
"beta": 117.17,
"gamma": 90.00
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.370,1.900],
"number_observations_unique": 89527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 20909,
"number_observations_unique": 4556,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.613
},
{
"type": "R(meas)",
"value": 1.822
},
{
"type": "R(pim)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.382
}
]
},
{
"resolution_limits": [41.370,10.230],
"number_observations": 2432,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}