Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d590d15ff394478e26dbd7bb6554d59",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 55.056,
"b": 4.831,
"c": 22.127,
"alpha": 90.00,
"beta": 102.98,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.800],
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.800],
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "Completeness",
"value": 71.000
},
{
"type": "Redundancy",
"value": 1.400
}
]
},
{
"resolution_limits": [2.130,1.940],
"number_observations_unique": 106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.440,2.130],
"number_observations_unique": 128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.080,2.440],
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [90.000,3.080],
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}