Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d229ff6be7e1d41a6662b2ed873c13b",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.70,
"b": 56.71,
"c": 77.73,
"alpha": 104.65,
"beta": 103.86,
"gamma": 102.72
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.3,2.250],
"number_observations_unique": 33433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [2.400,2.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 4.040
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [2.500,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 4.880
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.600,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 5.590
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.700,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 7.190
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [3.000,2.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 8.990
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [4.000,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 16.050
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [5.000,4.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 22.240
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [6.000,5.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 23.140
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [10.000,6.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 23.140
},
{
"type": "Completeness",
"value": 95.500
}
]
},
{
"resolution_limits": [44.3,10.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 97.500
}
]
}
]
}