Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12e57651204947f77d1a0ba3695e9490",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.839,
"b": 59.648,
"c": 46.289,
"alpha": 90.00,
"beta": 103.85,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.940,1.260],
"number_observations": 167746,
"number_observations_unique": 45262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.260],
"number_observations": 15200,
"number_observations_unique": 4404,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.424
},
{
"type": "R(meas)",
"value": 1.687
},
{
"type": "R(pim)",
"value": 0.890
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [44.940,4.880],
"number_observations": 3128,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}