Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f3fda16f2648621df1a31baa2165579",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.308,
"b": 71.308,
"c": 150.101,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.350,1.280],
"number_observations": 1068495,
"number_observations_unique": 97157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.280],
"number_observations": 14148,
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 73.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [29.350,7.010],
"number_observations": 8176,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 101.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}