Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7d443823afc2fb4be4401d2a9453fd6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.110,
"b": 109.685,
"c": 181.487,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.200],
"number_observations_unique": 105458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.370,2.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.480,2.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.610,2.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.770,2.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.990,2.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.290,2.990],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.760,3.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.740,3.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [50.000,4.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}