Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86019fca10ceacb5f1079890fcdd72bd",
"space_group_name": "P 32",
"unit_cell": {
"a": 43.948,
"b": 43.948,
"c": 207.273,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.090,1.140],
"number_observations": 1540149,
"number_observations_unique": 163813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.140],
"number_observations": 149650,
"number_observations_unique": 23675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.729
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [69.090,3.600],
"number_observations": 55314,
"number_observations_unique": 5219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}