Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bac0af7efdfe7548c8580057280390c5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.57,
"b": 149.31,
"c": 79.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.74,1.400],
"number_observations": 269876,
"number_observations_unique": 59299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.520
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations": 14015,
"number_observations_unique": 4972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 2.820
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 22493,
"number_observations_unique": 5934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.780
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations": 23681,
"number_observations_unique": 5970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.960
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations": 25033,
"number_observations_unique": 6016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.150
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations": 26766,
"number_observations_unique": 6073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.380
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations": 29748,
"number_observations_unique": 6107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.830
}
]
},
{
"resolution_limits": [2.090,1.900],
"number_observations": 30902,
"number_observations_unique": 6154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.980
}
]
},
{
"resolution_limits": [2.390,2.090],
"number_observations": 32062,
"number_observations_unique": 6175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.140
}
]
},
{
"resolution_limits": [3.010,2.390],
"number_observations": 32356,
"number_observations_unique": 6057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 38.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.290
}
]
},
{
"resolution_limits": [19.770,3.010],
"number_observations": 32820,
"number_observations_unique": 5841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 68.800
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 5.510
}
]
}
]
}