Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6be059885c538316536bad8e1c42a7fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.292,
"b": 99.742,
"c": 129.435,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.010,2.140],
"number_observations": 757621,
"number_observations_unique": 57432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.140],
"number_observations": 110436,
"number_observations_unique": 8279,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.101
},
{
"type": "R(meas)",
"value": 1.145
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [79.010,6.760],
"number_observations": 23484,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 53.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}