Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5bb94f212555b9f81d15a29a89daa525",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.066,
"b": 105.335,
"c": 75.436,
"alpha": 90.00,
"beta": 102.36,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.380,2.690],
"number_observations": 35235,
"number_observations_unique": 17327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.690],
"number_observations": 3152,
"number_observations_unique": 1766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 59.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [60.380,8.520],
"number_observations": 1383,
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}