Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58aa21b6f810d479cc0f610869c26b54",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.77,
"b": 70.35,
"c": 161.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.7960,1.490],
"number_observations_unique": 56125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 16.720
},
{
"type": "Completeness",
"value": 76.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 2984,
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 24.700
}
]
},
{
"resolution_limits": [1.570,1.530],
"number_observations": 5390,
"number_observations_unique": 1878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 36.100
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 7826,
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 43.500
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 10370,
"number_observations_unique": 2503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 51.200
}
]
},
{
"resolution_limits": [1.720,1.670],
"number_observations": 13386,
"number_observations_unique": 2856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 59.500
}
]
},
{
"resolution_limits": [1.780,1.720],
"number_observations": 16631,
"number_observations_unique": 3206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 69.200
}
]
},
{
"resolution_limits": [1.850,1.780],
"number_observations": 20621,
"number_observations_unique": 3598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 79.900
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations": 27582,
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.010,1.920],
"number_observations": 30087,
"number_observations_unique": 4125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.110,2.010],
"number_observations": 28652,
"number_observations_unique": 3924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.220,2.110],
"number_observations": 27541,
"number_observations_unique": 3776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.360,2.220],
"number_observations": 25836,
"number_observations_unique": 3548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 21.0
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.520,2.360],
"number_observations": 24645,
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 23.8
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.720,2.520],
"number_observations": 22758,
"number_observations_unique": 3144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 26.9
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.980,2.720],
"number_observations": 21082,
"number_observations_unique": 2939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.5
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.330,2.980],
"number_observations": 18722,
"number_observations_unique": 2627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 33.5
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.850,3.330],
"number_observations": 16618,
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 37.2
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.720,3.850],
"number_observations": 13605,
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.2
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.670,4.720],
"number_observations": 10617,
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 37.9
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [42.7960,6.670],
"number_observations": 5637,
"number_observations_unique": 911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.8
},
{
"type": "Completeness",
"value": 94.300
}
]
}
]
}