Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "740570f08edd03742cadf6f94fc7f4aa",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 56.394,
"b": 80.656,
"c": 63.222,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.200,1.400],
"number_observations": 76078,
"number_observations_unique": 27749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 2748,
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [28.200,7.670],
"number_observations": 559,
"number_observations_unique": 158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 78.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}