Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5bd2ff367f5bddf3e6465f3107c3229",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.190,
"b": 67.205,
"c": 67.321,
"alpha": 100.50,
"beta": 103.70,
"gamma": 90.67
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.250,2.200],
"number_observations": 99836,
"number_observations_unique": 50974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 6690,
"number_observations_unique": 3771,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.536
},
{
"type": "R(meas)",
"value": 2.097
},
{
"type": "R(pim)",
"value": 1.419
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 81.100
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.268
}
]
},
{
"resolution_limits": [46.250,9.070],
"number_observations": 1622,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}