Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89672003d1f688b41be3b57e3f0abaf7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 78.64,
"b": 46.34,
"c": 84.13,
"alpha": 90.00,
"beta": 93.14,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.100],
"number_observations_unique": 35731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 17.460
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 18310,
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 18374,
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 5.350
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 17662,
"number_observations_unique": 2483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 6.240
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations": 17408,
"number_observations_unique": 2419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 7.150
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 16825,
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 8.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations": 16071,
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 9.940
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 16170,
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 11.490
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations": 15269,
"number_observations_unique": 2108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 14.680
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations": 14608,
"number_observations_unique": 2018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 16.940
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations": 13958,
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 19.650
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations": 13478,
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 22.420
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations": 12433,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 26.280
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations": 11750,
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations": 10768,
"number_observations_unique": 1534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 32.040
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations": 9746,
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 33.650
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations": 8442,
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.710
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations": 7938,
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 34.980
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations": 7000,
"number_observations_unique": 983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 35.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations": 5413,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 37.170
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}