Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1612bf75920c6baeea5b3bac4772faf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.581,
"b": 92.668,
"c": 146.421,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 36096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.100
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 2354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 4.24
},
{
"type": "Completeness",
"value": 60.500
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 2811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 6.39
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations_unique": 3402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 10.46
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations_unique": 3869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 14.21
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 18.79
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 24.78
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations_unique": 3930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 31.16
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 35.98
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.310,3.420],
"number_observations_unique": 3937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 37.39
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [50.000,4.310],
"number_observations_unique": 4079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 36.67
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
}
]
}