Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "fa56335527fae3eb67cdcd5bfce435c5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.525,
"b": 83.535,
"c": 59.057,
"alpha": 90.00,
"beta": 108.32,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.510,1.830],
"number_observations": 305536,
"number_observations_unique": 45000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 14607,
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.887
},
{
"type": "R(meas)",
"value": 2.093
},
{
"type": "R(pim)",
"value": 0.888
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [83.510,8.960],
"number_observations": 2510,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 44.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}