Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bae8b4c336ac166e8264e522cb69c3fe",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 101.590,
"b": 101.590,
"c": 170.351,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.780,2.200],
"number_observations_unique": 27088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 18505,
"number_observations_unique": 2277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [56.780,9.070],
"number_observations": 2846,
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}