Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "307096ca734b73018900cf6b519cea39",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.456,
"b": 71.962,
"c": 120.806,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93925,0.97939,0.97891],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.372,2.16],
"number_observations_unique": 26772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.670
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.55
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.160],
"number_observations": 6299,
"number_observations_unique": 2004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 70.400
}
]
},
{
"resolution_limits": [2.330,2.240],
"number_observations": 8406,
"number_observations_unique": 2483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 90.500
}
]
},
{
"resolution_limits": [2.430,2.330],
"number_observations": 9525,
"number_observations_unique": 2592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.560,2.430],
"number_observations": 10269,
"number_observations_unique": 2784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.720,2.560],
"number_observations": 10024,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.930,2.720],
"number_observations": 10167,
"number_observations_unique": 2782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.220,2.930],
"number_observations": 10015,
"number_observations_unique": 2742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 17.3
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.690,3.220],
"number_observations": 10108,
"number_observations_unique": 2821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [4.640,3.690],
"number_observations": 10055,
"number_observations_unique": 2822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 38.2
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [45.370,4.640],
"number_observations": 10136,
"number_observations_unique": 2977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 42.6
},
{
"type": "Completeness",
"value": 97.900
}
]
}
]
}