Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "330eb75de5a1bb1e8f6fb9c43b2caadd",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 47.846,
"b": 82.405,
"c": 99.819,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.150,1.840],
"number_observations": 110415,
"number_observations_unique": 17416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 6583,
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.791
},
{
"type": "R(meas)",
"value": 1.960
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [43.150,9.030],
"number_observations": 905,
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 68.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}