Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfbd2c34622d303a52d4f12b6227f544",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 72.310,
"b": 87.018,
"c": 196.078,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 28525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "Completeness",
"value": 65.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.02,2.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "Completeness",
"value": 80.90
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [3.15,3.02],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "Completeness",
"value": 91.30
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [3.32,3.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.53,3.32],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.80,3.53],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.18,3.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.79,4.18],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [6.03,4.79],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [50.00,6.03],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}