Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab97f3a7cb684a2dd80ffbe595434b3f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 69.695,
"b": 82.432,
"c": 90.113,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840,0.97926,0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.222,1.50],
"number_observations_unique": 41834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 21618,
"number_observations_unique": 3036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.945
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations": 21287,
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations": 20791,
"number_observations_unique": 2907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 20227,
"number_observations_unique": 2826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 19448,
"number_observations_unique": 2721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 18977,
"number_observations_unique": 2661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations": 18283,
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations": 17308,
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations": 16915,
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.120,2.020],
"number_observations": 16030,
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.240,2.120],
"number_observations": 15182,
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.370,2.240],
"number_observations": 14233,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.540,2.370],
"number_observations": 13414,
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations": 12266,
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations": 10909,
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations": 10305,
"number_observations_unique": 1520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations": 9690,
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations": 8343,
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [6.710,4.740],
"number_observations": 6460,
"number_observations_unique": 904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [28.222,6.710],
"number_observations": 3497,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}