Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb82c1a97ee66d1accf292ce829d35fb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.480,
"b": 102.448,
"c": 87.422,
"alpha": 90.00,
"beta": 102.78,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.520,1.790],
"number_observations": 802493,
"number_observations_unique": 115206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 60218,
"number_observations_unique": 8503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "R(meas)",
"value": 0.992
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [102.520,8.010],
"number_observations": 9770,
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}