Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e8a9e1f6737bc5b07052df3ff9fd0cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 27.52,
"b": 68.59,
"c": 158.08,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.922,1.95],
"number_observations_unique": 22136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.950],
"number_observations": 5747,
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.060,2.010],
"number_observations": 5641,
"number_observations_unique": 1569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 5362,
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 5329,
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations": 5137,
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.340,2.260],
"number_observations": 4878,
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.420,2.340],
"number_observations": 4900,
"number_observations_unique": 1372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations": 4661,
"number_observations_unique": 1313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.640,2.520],
"number_observations": 4457,
"number_observations_unique": 1258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.760,2.640],
"number_observations": 4270,
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations": 3977,
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.090,2.910],
"number_observations": 3824,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.300,3.090],
"number_observations": 3441,
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.570,3.300],
"number_observations": 3136,
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [3.910,3.570],
"number_observations": 2872,
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.370,3.910],
"number_observations": 2673,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [5.050,4.370],
"number_observations": 2303,
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [6.180,5.050],
"number_observations": 2130,
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [8.740,6.180],
"number_observations": 1663,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [62.895,8.740],
"number_observations": 767,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}