Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a841317bbfb09e16d116deedf72039a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.458,
"b": 76.333,
"c": 36.933,
"alpha": 90.00,
"beta": 107.21,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.170,1.900],
"number_observations": 45407,
"number_observations_unique": 13437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 2971,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [38.170,9.110],
"number_observations": 391,
"number_observations_unique": 119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}