Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "908825aeea1739a0b11397dbf51eeb03",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 86.44,
"b": 87.56,
"c": 116.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.187,2.100],
"number_observations_unique": 50824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.100],
"number_observations": 29358,
"number_observations_unique": 7177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.350,2.210],
"number_observations": 28219,
"number_observations_unique": 6867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.510,2.350],
"number_observations": 26722,
"number_observations_unique": 6490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.710,2.510],
"number_observations": 24998,
"number_observations_unique": 6069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.970,2.710],
"number_observations": 23322,
"number_observations_unique": 5647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.320,2.970],
"number_observations": 21233,
"number_observations_unique": 5161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.830,3.320],
"number_observations": 18858,
"number_observations_unique": 4601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.700,3.830],
"number_observations": 16014,
"number_observations_unique": 3931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [6.640,4.700],
"number_observations": 12406,
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [29.737,6.640],
"number_observations": 6768,
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}