Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad085f1dafb39e90ba077ceca2966185",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.937,
"b": 65.931,
"c": 151.513,
"alpha": 90.00,
"beta": 90.91,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.460,2.310],
"number_observations": 215453,
"number_observations_unique": 37114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.310],
"number_observations": 18537,
"number_observations_unique": 3434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [43.460,8.960],
"number_observations": 4005,
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}