Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8643cb3c5bb2e4b34ff03626dddb99e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.969,
"b": 90.180,
"c": 59.110,
"alpha": 90.0,
"beta": 111.5,
"gamma": 90.0
},
"wavelengths": [0.97906],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.180,2.360],
"number_observations_unique": 20023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.360],
"number_observations": 5986,
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [90.180,8.830],
"number_observations": 1185,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}