Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc20a5ed49aba61f952fd988060ac4db",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.642,
"b": 85.368,
"c": 162.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.930,1.750],
"number_observations_unique": 106837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.970
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.750],
"number_observations": 22278,
"number_observations_unique": 7414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 65.200
},
{
"type": "Redundancy",
"value": 2.980
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations": 35200,
"number_observations_unique": 9665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 3.620
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations": 42432,
"number_observations_unique": 10482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.020
}
]
},
{
"resolution_limits": [2.070,1.970],
"number_observations": 42640,
"number_observations_unique": 10627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.990
}
]
},
{
"resolution_limits": [2.200,2.070],
"number_observations": 43385,
"number_observations_unique": 10924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.950
}
]
},
{
"resolution_limits": [2.380,2.200],
"number_observations": 44943,
"number_observations_unique": 11223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.980
}
]
},
{
"resolution_limits": [2.610,2.380],
"number_observations": 47005,
"number_observations_unique": 11411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.990,2.610],
"number_observations": 48874,
"number_observations_unique": 11486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.230
}
]
},
{
"resolution_limits": [3.770,2.990],
"number_observations": 50180,
"number_observations_unique": 11626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.290
}
]
},
{
"resolution_limits": [39.930,3.770],
"number_observations": 50883,
"number_observations_unique": 11979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.180
}
]
}
]
}