Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72aa6bbf1c1eb3ed1a250349df35b54f",
"space_group_name": "I 4",
"unit_cell": {
"a": 147.260,
"b": 147.260,
"c": 33.303,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104,2.250],
"number_observations": 74903,
"number_observations_unique": 17069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 10.930
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.73
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 4291,
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 87.000
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations": 5328,
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations": 5141,
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "I/SigI",
"value": 2.780
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.510,2.440],
"number_observations": 5439,
"number_observations_unique": 1182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.590,2.510],
"number_observations": 4932,
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations": 4923,
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 4.770
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.790,2.690],
"number_observations": 4888,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations": 4420,
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 7.640
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [3.030,2.900],
"number_observations": 4366,
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 8.810
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [3.180,3.030],
"number_observations": 4218,
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 11.910
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations": 4168,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 14.450
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.550,3.350],
"number_observations": 3654,
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 17.460
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.800,3.550],
"number_observations": 3636,
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 20.230
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [4.100,3.800],
"number_observations": 3230,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 21.780
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [4.490,4.100],
"number_observations": 2827,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 24.280
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [5.030,4.490],
"number_observations": 2693,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 24.810
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [5.800,5.030],
"number_observations": 2356,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 22.480
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [7.110,5.800],
"number_observations": 2024,
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 23.480
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [10.050,7.110],
"number_observations": 1529,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 27.470
},
{
"type": "Completeness",
"value": 95.500
}
]
},
{
"resolution_limits": [104,10.050],
"number_observations": 840,
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.240
},
{
"type": "Completeness",
"value": 86.300
}
]
}
]
}