Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b4b68bb17ee6134b484071d7681e532",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 99.481,
"b": 104.699,
"c": 103.115,
"alpha": 90.00,
"beta": 97.46,
"gamma": 90.00
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.830,3.400],
"number_observations_unique": 28812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.610,3.400],
"number_observations": 14292,
"number_observations_unique": 4576,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.492
},
{
"type": "R(meas)",
"value": 1.804
},
{
"type": "R(pim)",
"value": 1.003
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [98.640,10.200],
"number_observations": 3400,
"number_observations_unique": 1111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}