Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "33c5caa1ba13a54f45e806c83600b4bd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.488,
"b": 83.137,
"c": 59.052,
"alpha": 90.00,
"beta": 108.45,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.110,1.780],
"number_observations": 321704,
"number_observations_unique": 48302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 13394,
"number_observations_unique": 2605,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.605
},
{
"type": "R(meas)",
"value": 4.018
},
{
"type": "R(pim)",
"value": 1.744
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.219
}
]
},
{
"resolution_limits": [83.110,9.070],
"number_observations": 2366,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 45.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}