Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "452280e524543028b1f07bf1e0ff5d62",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.175,
"b": 54.633,
"c": 76.762,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.195],
"number_observations_unique": 11784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.195],
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.540,2.480],
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.680,2.610],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.760,3.490],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.140,3.760],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.730,4.140],
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.960,4.730],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [30.000,5.960],
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}