Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5dbaa7195729f4a2b1b90107c2285a72",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.919,
"b": 92.651,
"c": 53.058,
"alpha": 90.0,
"beta": 106.4,
"gamma": 90.0
},
"wavelengths": [1.01987,0.97974],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.00,1.80],
"number_observations_unique": 27712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.85,1.80],
"number_observations": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.24
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.90,1.85],
"number_observations": 2068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.65
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.95,1.90],
"number_observations": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.48
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.01,1.95],
"number_observations": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.24
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations": 1849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 4.95
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.15,2.08],
"number_observations": 1809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 6.10
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.23,2.15],
"number_observations": 1723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.80
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.32,2.23],
"number_observations": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.74
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.43,2.32],
"number_observations": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.62
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.55,2.43],
"number_observations": 1515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.77
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.68,2.55],
"number_observations": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.62
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.85,2.68],
"number_observations": 1325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.22
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.04,2.85],
"number_observations": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 16.93
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.29,3.04],
"number_observations": 1163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 19.35
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.60,3.29],
"number_observations": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 21.65
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.02,3.60],
"number_observations": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 22.91
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [4.65,4.02],
"number_observations": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 24.40
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [5.69,4.65],
"number_observations": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 24.56
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [8.05,5.69],
"number_observations": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 22.71
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [19.00,8.05],
"number_observations": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 25.46
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}