Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d7ffdd02b66f0aacbe1ef0c31dab8d5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.672,
"b": 37.964,
"c": 57.953,
"alpha": 90.00,
"beta": 105.44,
"gamma": 90.00
},
"wavelengths": [0.91162,0.97938],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.512,2.15],
"number_observations_unique": 11314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.150],
"number_observations": 4232,
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 4108,
"number_observations_unique": 2144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.420,2.320],
"number_observations": 3935,
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.550,2.420],
"number_observations": 4206,
"number_observations_unique": 2195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.710,2.550],
"number_observations": 4231,
"number_observations_unique": 2196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.920,2.710],
"number_observations": 4162,
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.210,2.920],
"number_observations": 4083,
"number_observations_unique": 2115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [3.670,3.210],
"number_observations": 4107,
"number_observations_unique": 2126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [4.610,3.670],
"number_observations": 4065,
"number_observations_unique": 2108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [29.512,4.610],
"number_observations": 4141,
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 95.700
}
]
}
]
}