Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d189ad6042b3091938de3183017083f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.128,
"b": 41.450,
"c": 72.030,
"alpha": 90.00,
"beta": 103.95,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.950,1.3050],
"number_observations_unique": 54512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 3937,
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 57.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [34.950,7.030],
"number_observations": 1261,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}