Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc7365bc11d877a8d05256905589cd96",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.87,
"b": 56.79,
"c": 44.50,
"alpha": 90.00,
"beta": 107.07,
"gamma": 90.00
},
"wavelengths": [0.93400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,1.230],
"number_observations_unique": 35328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.37
},
{
"type": "Completeness",
"value": 71.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.230],
"number_observations": 3694,
"number_observations_unique": 2861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 18.5
}
]
},
{
"resolution_limits": [1.390,1.300],
"number_observations": 9215,
"number_observations_unique": 6376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 4.630
},
{
"type": "Completeness",
"value": 43.8
}
]
},
{
"resolution_limits": [1.500,1.390],
"number_observations": 16251,
"number_observations_unique": 9693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.120
},
{
"type": "Completeness",
"value": 71.9
}
]
},
{
"resolution_limits": [1.650,1.500],
"number_observations": 25359,
"number_observations_unique": 11645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 14.530
},
{
"type": "Completeness",
"value": 93.5
}
]
},
{
"resolution_limits": [1.840,1.650],
"number_observations": 23626,
"number_observations_unique": 10748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 22.460
},
{
"type": "Completeness",
"value": 95.1
}
]
},
{
"resolution_limits": [2.120,1.840],
"number_observations": 20741,
"number_observations_unique": 9499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.820
},
{
"type": "Completeness",
"value": 96.1
}
]
},
{
"resolution_limits": [2.600,2.120],
"number_observations": 17623,
"number_observations_unique": 8125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 47.830
},
{
"type": "Completeness",
"value": 96.8
}
]
},
{
"resolution_limits": [3.660,2.600],
"number_observations": 13157,
"number_observations_unique": 6155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 57.540
},
{
"type": "Completeness",
"value": 95.2
}
]
},
{
"resolution_limits": [20,3.660],
"number_observations": 6001,
"number_observations_unique": 3014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 61.680
},
{
"type": "Completeness",
"value": 83.2
}
]
}
]
}