Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b7f84a98aded5eccf5a5d609d11552b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 121.021,
"b": 142.459,
"c": 207.969,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [117.530,1.700],
"number_observations": 1649444,
"number_observations_unique": 380256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 54689,
"number_observations_unique": 14799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [117.530,9.300],
"number_observations": 10277,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}