Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25115a882dbfc0a436e46c8b7cad01a4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.137,
"b": 47.514,
"c": 100.536,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.5,1.55],
"number_observations_unique": 25713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 23.85
},
{
"type": "Completeness",
"value": 99.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.6,1.55],
"number_observations_unique": 2738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 3.73
},
{
"type": "Completeness",
"value": 96.6
}
]
},
{
"resolution_limits": [1.71,1.61],
"number_observations_unique": 4109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 5.92
},
{
"type": "Completeness",
"value": 98.7
}
]
},
{
"resolution_limits": [1.85,1.72],
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 26.6
},
{
"type": "I/SigI",
"value": 9.57
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [2.03,1.86],
"number_observations_unique": 3591,
"quality_factors": [
{
"type": "R(merge)",
"value": 15.8
},
{
"type": "I/SigI",
"value": 16.65
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.26,2.04],
"number_observations_unique": 3117,
"quality_factors": [
{
"type": "R(merge)",
"value": 10.3
},
{
"type": "I/SigI",
"value": 25.58
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.61,2.27],
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.6
},
{
"type": "I/SigI",
"value": 33.46
},
{
"type": "Completeness",
"value": 99.9
}
]
}
]
}