Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9694a499b3a1be2c3d441cecf59b09ee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.98,
"b": 94.03,
"c": 67.22,
"alpha": 90.00,
"beta": 105.31,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.830,2.750],
"number_observations": 70864,
"number_observations_unique": 19133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.750],
"number_observations": 10222,
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(meas)",
"value": 0.731
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [64.830,8.700],
"number_observations": 2182,
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
}
]
}