Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "311e4b038da5f96e7aaabee8c444e9fa",
"space_group_name": "P 31",
"unit_cell": {
"a": 38.510,
"b": 38.510,
"c": 134.148,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.720,1.830],
"number_observations": 81919,
"number_observations_unique": 19640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 4864,
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.455
},
{
"type": "R(meas)",
"value": 2.827
},
{
"type": "R(pim)",
"value": 1.388
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [44.720,8.970],
"number_observations": 721,
"number_observations_unique": 175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}