Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75aeec4f31a2414d6d84ae831f993995",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.674,
"b": 114.560,
"c": 120.934,
"alpha": 90.00,
"beta": 100.49,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.91,2.140],
"number_observations_unique": 108640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 25767,
"number_observations_unique": 8034,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.066
},
{
"type": "R(meas)",
"value": 1.282
},
{
"type": "R(pim)",
"value": 0.705
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [118.880,9.570],
"number_observations": 4619,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}