Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c2524e6d4f17f08a7e702f28c143541",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.703,
"b": 46.080,
"c": 63.369,
"alpha": 90.00,
"beta": 112.39,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.590,1.340],
"number_observations": 270297,
"number_observations_unique": 69349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.340],
"number_observations": 19436,
"number_observations_unique": 5042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 1.055
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [58.590,5.990],
"number_observations": 3220,
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}