Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3cb2374cf9ed93c72965347921eeb469",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.70,
"b": 148.91,
"c": 79.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.5400,1.730],
"number_observations": 151216,
"number_observations_unique": 32876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.570
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.730],
"number_observations": 12787,
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.990
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations": 13622,
"number_observations_unique": 3224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.950,1.860],
"number_observations": 14619,
"number_observations_unique": 3224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.050,1.950],
"number_observations": 14890,
"number_observations_unique": 3248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.560
}
]
},
{
"resolution_limits": [2.180,2.050],
"number_observations": 15183,
"number_observations_unique": 3252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.640
}
]
},
{
"resolution_limits": [2.350,2.180],
"number_observations": 15503,
"number_observations_unique": 3289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.690
}
]
},
{
"resolution_limits": [2.580,2.350],
"number_observations": 15881,
"number_observations_unique": 3305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.780
}
]
},
{
"resolution_limits": [2.960,2.580],
"number_observations": 16150,
"number_observations_unique": 3329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.810
}
]
},
{
"resolution_limits": [3.720,2.960],
"number_observations": 16253,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.840
}
]
},
{
"resolution_limits": [19.900,3.720],
"number_observations": 16328,
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.610
}
]
}
]
}