Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d066dceb1c702653e99ace3fbca3b5dd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.49,
"b": 54.69,
"c": 83.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94926,0.97939,0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.501,1.750],
"number_observations_unique": 19754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.190
},
{
"type": "Completeness",
"value": 93.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations": 5713,
"number_observations_unique": 3015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 83.80
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations": 6838,
"number_observations_unique": 3605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 88.00
}
]
},
{
"resolution_limits": [1.97,1.89],
"number_observations": 5933,
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 90.20
}
]
},
{
"resolution_limits": [2.07,1.97],
"number_observations": 6339,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 93.60
}
]
},
{
"resolution_limits": [2.20,2.07],
"number_observations": 6776,
"number_observations_unique": 3590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 95.50
}
]
},
{
"resolution_limits": [2.37,2.20],
"number_observations": 6831,
"number_observations_unique": 3618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [2.61,2.37],
"number_observations": 6949,
"number_observations_unique": 3664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 97.10
}
]
},
{
"resolution_limits": [2.99,2.61],
"number_observations": 6896,
"number_observations_unique": 3662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [29.501,2.99],
"number_observations": 6813,
"number_observations_unique": 3650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 98.30
}
]
}
]
}