Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "943f3003c0cf0ebfb1c0962a0cf7b886",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.161,
"b": 90.804,
"c": 109.129,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97941,0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.448,2.05],
"number_observations_unique": 15922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.440
},
{
"type": "Completeness",
"value": 98.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.050],
"number_observations": 5830,
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 94.400
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations": 6780,
"number_observations_unique": 3175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations": 6282,
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations": 6344,
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.580,2.430],
"number_observations": 6356,
"number_observations_unique": 2955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations": 6502,
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.060,2.780],
"number_observations": 6440,
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.500,3.060],
"number_observations": 6378,
"number_observations_unique": 2948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [4.400,3.500],
"number_observations": 6434,
"number_observations_unique": 2972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.8
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [29.448,4.400],
"number_observations": 6513,
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.2
},
{
"type": "Completeness",
"value": 96.800
}
]
}
]
}