Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ec50e6bb99ea175134cdd353db616fe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.277,
"b": 153.650,
"c": 109.077,
"alpha": 90.0,
"beta": 90.6,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.030,1.900],
"number_observations": 709558,
"number_observations_unique": 148370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 32909,
"number_observations_unique": 7109,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.297
},
{
"type": "R(meas)",
"value": 2.579
},
{
"type": "R(pim)",
"value": 1.154
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [39.030,10.410],
"number_observations": 4734,
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}