Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c832c1aab0656ac7ba7c5387eb657381",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.358,
"b": 77.705,
"c": 80.152,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97960,0.97970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.30,1.35],
"number_observations_unique": 58327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.46,1.42],
"number_observations": 3941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.50,1.46],
"number_observations": 4047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [1.54,1.50],
"number_observations": 3963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.59,1.54],
"number_observations": 3993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.64,1.59],
"number_observations": 3839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.70,1.64],
"number_observations": 3749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.76,1.70],
"number_observations": 3586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations": 3485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.16
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations": 3332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.01,1.91],
"number_observations": 3203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.12,2.01],
"number_observations": 3033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.25,2.12],
"number_observations": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.40,2.25],
"number_observations": 2693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.59,2.40],
"number_observations": 2564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.84,2.59],
"number_observations": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.18,2.84],
"number_observations": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.67,3.18],
"number_observations": 1891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.49,3.67],
"number_observations": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [6.35,4.49],
"number_observations": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [24.30,6.35],
"number_observations": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}