Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6dcc1a597cebbc67a0534f1836b300e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.15,
"b": 78.87,
"c": 88.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.870,1.260],
"number_observations": 672675,
"number_observations_unique": 117806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.260],
"number_observations": 38512,
"number_observations_unique": 8647,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.721
},
{
"type": "R(meas)",
"value": 1.953
},
{
"type": "R(pim)",
"value": 0.908
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [88.870,5.630],
"number_observations": 9071,
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}