Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c91720cce93aa0314a84280d2ad2df0",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 135.943,
"b": 135.943,
"c": 51.860,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.460,2.050],
"number_observations": 688820,
"number_observations_unique": 34532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 47387,
"number_observations_unique": 2546,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.532
},
{
"type": "R(meas)",
"value": 1.575
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [47.460,8.950],
"number_observations": 8299,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}