Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4f96dcd705d8e30cdc5c81dfae1bc363",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.471,
"b": 83.864,
"c": 58.968,
"alpha": 90.00,
"beta": 108.26,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.910,1.740],
"number_observations": 342597,
"number_observations_unique": 52634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 13111,
"number_observations_unique": 2756,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.861
},
{
"type": "R(meas)",
"value": 2.096
},
{
"type": "R(pim)",
"value": 0.952
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.302
}
]
},
{
"resolution_limits": [83.910,9.030],
"number_observations": 2435,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 68.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}