Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4100545d37c564f9b1eb4cfd318d358f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.062,
"b": 60.473,
"c": 77.221,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97954,0.91837,0.97874],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.250,1.85],
"number_observations_unique": 16569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 11.410
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.98
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.850],
"number_observations": 6715,
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.99
}
]
},
{
"resolution_limits": [1.990,1.920],
"number_observations": 5932,
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [2.080,1.990],
"number_observations": 6565,
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [2.190,2.080],
"number_observations": 6587,
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.330,2.190],
"number_observations": 6740,
"number_observations_unique": 1664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.510,2.330],
"number_observations": 6698,
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.760,2.510],
"number_observations": 6652,
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [3.160,2.760],
"number_observations": 6712,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [3.980,3.160],
"number_observations": 6647,
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 25.8
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [36.250,3.980],
"number_observations": 6742,
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 32.3
},
{
"type": "Completeness",
"value": 97.300
}
]
}
]
}