Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b599bd357e945fe046b761be8e545b9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.610,
"b": 52.519,
"c": 45.589,
"alpha": 90.00,
"beta": 90.01,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.610,0.900],
"number_observations_unique": 257512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.920,0.900],
"number_observations": 4619,
"number_observations_unique": 2811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 40.200
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [40.610,4.930],
"number_observations": 2883,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 76.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}