Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca57b8b284c247c4db0abb654e0ceddd",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.54,
"b": 149.26,
"c": 79.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.54,1.450],
"number_observations": 232709,
"number_observations_unique": 54336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.250
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations": 18388,
"number_observations_unique": 5400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.560,1.500],
"number_observations": 19535,
"number_observations_unique": 5455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.570
}
]
},
{
"resolution_limits": [1.630,1.560],
"number_observations": 20705,
"number_observations_unique": 5460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.780
}
]
},
{
"resolution_limits": [1.720,1.630],
"number_observations": 22392,
"number_observations_unique": 5512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.040
}
]
},
{
"resolution_limits": [1.830,1.720],
"number_observations": 23825,
"number_observations_unique": 5473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.320
}
]
},
{
"resolution_limits": [1.970,1.830],
"number_observations": 24589,
"number_observations_unique": 5486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.440
}
]
},
{
"resolution_limits": [2.170,1.970],
"number_observations": 25013,
"number_observations_unique": 5440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.570
}
]
},
{
"resolution_limits": [2.480,2.170],
"number_observations": 25874,
"number_observations_unique": 5447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.720
}
]
},
{
"resolution_limits": [3.120,2.480],
"number_observations": 26141,
"number_observations_unique": 5366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 44.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.840
}
]
},
{
"resolution_limits": [19.790,3.120],
"number_observations": 26247,
"number_observations_unique": 5297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 70.400
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.870
}
]
}
]
}