Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "578847d67f28d877a3f387aba4f9af28",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 60.154,
"b": 103.479,
"c": 196.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.060,2.900],
"number_observations": 111744,
"number_observations_unique": 27630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 18905,
"number_observations_unique": 4429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.731
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [49.060,8.700],
"number_observations": 3561,
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}