Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00381185535d7377cd7ce27f23bdf97b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.56,
"b": 124.32,
"c": 172.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.100],
"number_observations_unique": 81188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 15.020
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.210,2.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.280,2.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.350,2.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.420,2.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 6.370
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.510,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.600,2.510],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 8.220
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.710,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 9.460
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.830,2.710],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 11.530
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.970,2.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 13.830
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.130,2.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.320,3.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 20.490
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.550,3.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 25.190
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.830,3.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 29.960
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [4.200,3.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 35.220
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.700,4.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [5.420,4.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 36.330
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [6.640,5.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [9.390,6.640],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 38.150
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [50,9.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 46.460
},
{
"type": "Completeness",
"value": 91.700
}
]
}
]
}