Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82bc26463a03990ce50f1959c504393e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 74.433,
"b": 110.721,
"c": 126.030,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97936],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.279,2.60],
"number_observations_unique": 16314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.600],
"number_observations": 6454,
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations": 6690,
"number_observations_unique": 3117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.930,2.800],
"number_observations": 6702,
"number_observations_unique": 3120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.080,2.930],
"number_observations": 6401,
"number_observations_unique": 2980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.270,3.080],
"number_observations": 6545,
"number_observations_unique": 3043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.520,3.270],
"number_observations": 6554,
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.880,3.520],
"number_observations": 6694,
"number_observations_unique": 3123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [4.430,3.880],
"number_observations": 6462,
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 19.1
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [5.570,4.430],
"number_observations": 6429,
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 24.0
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [29.279,5.570],
"number_observations": 6387,
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.1
},
{
"type": "Completeness",
"value": 94.700
}
]
}
]
}