Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0bf54625e3a85e295b7cd58caf13e344",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.437,
"b": 59.840,
"c": 80.189,
"alpha": 79.33,
"beta": 81.51,
"gamma": 75.50
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.360,1.640],
"number_observations": 176125,
"number_observations_unique": 102140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 11333,
"number_observations_unique": 7345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [78.360,7.330],
"number_observations": 2150,
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}