Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f257a27357223873d9fa97e90a1315bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.369,
"b": 103.135,
"c": 45.062,
"alpha": 90.00,
"beta": 98.94,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97937,0.97898],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.574,1.22],
"number_observations_unique": 99282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.460
},
{
"type": "Completeness",
"value": 95.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.220],
"number_observations": 24994,
"number_observations_unique": 16812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 92.100
}
]
},
{
"resolution_limits": [1.310,1.260],
"number_observations": 27546,
"number_observations_unique": 18506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 93.200
}
]
},
{
"resolution_limits": [1.370,1.310],
"number_observations": 28347,
"number_observations_unique": 18981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 94.400
}
]
},
{
"resolution_limits": [1.450,1.370],
"number_observations": 31108,
"number_observations_unique": 20806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [1.540,1.450],
"number_observations": 28089,
"number_observations_unique": 18747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [1.660,1.540],
"number_observations": 28555,
"number_observations_unique": 19100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [1.820,1.660],
"number_observations": 27488,
"number_observations_unique": 18328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [2.090,1.820],
"number_observations": 29362,
"number_observations_unique": 19586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.630,2.090],
"number_observations": 28186,
"number_observations_unique": 18812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [29.574,2.630],
"number_observations": 28035,
"number_observations_unique": 18601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.9
},
{
"type": "Completeness",
"value": 94.000
}
]
}
]
}