Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "978339282e5456e6c0938b5129b1e9d2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.365,
"b": 131.555,
"c": 161.559,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.090],
"number_observations_unique": 94344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.09],
"number_observations_unique": 19694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [2.25,2.16],
"number_observations_unique": 19730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.35,2.25],
"number_observations_unique": 19726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [2.48,2.35],
"number_observations_unique": 19771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.63,2.48],
"number_observations_unique": 19786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.84,2.63],
"number_observations_unique": 19725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [3.12,2.84],
"number_observations_unique": 19756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [3.57,3.12],
"number_observations_unique": 19766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [4.50,3.57],
"number_observations_unique": 19700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [50.00,4.50],
"number_observations_unique": 19784,
"quality_factors": [
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.50
}
]
}
]
}