Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0f85948d492e7f16e4349807df385a8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.461,
"b": 63.250,
"c": 58.672,
"alpha": 90.00,
"beta": 108.44,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.660,1.480],
"number_observations": 1135548,
"number_observations_unique": 66333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.480],
"number_observations": 159071,
"number_observations_unique": 9600,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.027
},
{
"type": "R(meas)",
"value": 4.154
},
{
"type": "R(pim)",
"value": 1.010
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [55.660,4.680],
"number_observations": 38484,
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 88.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}