Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b1cbea321ce0184da68c2e65ddfedae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 279.346,
"b": 69.286,
"c": 221.107,
"alpha": 90.00,
"beta": 123.85,
"gamma": 90.00
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.560,3.700],
"number_observations": 144336,
"number_observations_unique": 37890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.860,3.700],
"number_observations": 18144,
"number_observations_unique": 4606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.843
},
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [69.560,12.820],
"number_observations": 3228,
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}