Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a526a9ee26724c6ae6a9fb8f195d1eaa",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 104.72,
"b": 112.11,
"c": 136.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.800],
"number_observations_unique": 148737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 41573,
"number_observations_unique": 7290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 0.966
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [29.940,9.860],
"number_observations": 5926,
"number_observations_unique": 1002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}