Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3fd69a52ba9cce9bab28379995aafea",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.815,
"b": 94.498,
"c": 100.510,
"alpha": 90.00,
"beta": 102.08,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.820,1.400],
"number_observations": 1070625,
"number_observations_unique": 228030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations": 114497,
"number_observations_unique": 23622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [19.820,5.240],
"number_observations": 21597,
"number_observations_unique": 4260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}